Mol:BMFYB3HOr003

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(New page: Copyright: ARM project http://www.metabolome.jp/ 5 4 0 0 0 0 0 0 0 0999 V2000 17.5700 -16.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7824 -17.2200 ...)
 
 
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   1  4  1  0    0  0  
 
   1  4  1  0    0  0  
 
   2  5  1  0    0  0  
 
   2  5  1  0    0  0  
S  SKP  6
+
S  SKP  7
NAME Isobutyl alcohol
+
NAME 2-Methylpropan-1-ol
 +
CAS_RN 78-83-1
 
ID BMFYB3HOr003  
 
ID BMFYB3HOr003  
 
FORMULA C4H10O  
 
FORMULA C4H10O  
 
EXACTMASS 74.07316494199999  
 
EXACTMASS 74.07316494199999  
 
AVERAGEMASS 74.1216  
 
AVERAGEMASS 74.1216  
 +
SMILES OCC(C)C
 
SMILES OCC(C)C  
 
SMILES OCC(C)C  
 
M  END
 
M  END

Latest revision as of 16:34, 16 June 2010

BMFYB3HOr003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  5  4  0  0  0  0  0  0  0  0999 V2000 
   17.5700  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.7824  -17.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.3576  -17.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.5700  -15.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9779  -16.5296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0     0  0 
  1  3  1  0     0  0 
  1  4  1  0     0  0 
  2  5  1  0     0  0 
S  SKP  7 
NAME	2-Methylpropan-1-ol 
CAS_RN	78-83-1 
ID	BMFYB3HOr003 
FORMULA	C4H10O 
EXACTMASS	74.07316494199999 
AVERAGEMASS	74.1216 
SMILES	OCC(C)C 
SMILES	OCC(C)C 
M  END
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