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2-methyl-3-oxidanylidene-cyclopentene-1-carboxylic acid
SpectraBase Compound ID EUwCVpMeg7
InChI InChI=1S/C7H8O3/c1-4-5(7(9)10)2-3-6(4)8/h2-3H2,1H3,(H,9,10)
InChIKey VQVGTOOKQICMAZ-UHFFFAOYSA-N
Mol Weight 140.14 g/mol
Molecular Formula C7H8O3
Exact Mass 140.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CoRXSfbooH
Name 2-methyl-3-oxidanylidene-cyclopentene-1-carboxylic acid
Alternate Name(s) 2-methyl-3-oxo-1-cyclopentenecarboxylic acid 2-methyl-3-oxo-cyclopentene-1-carboxylic acid 3-keto-2-methyl-cyclopentene-1-carboxylic acid
CAS Registry Number 1909-79-1
Comments Less than 3 mono-isotopic peaks
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Formula C7H8O3
InChI InChI=1S/C7H8O3/c1-4-5(7(9)10)2-3-6(4)8/h2-3H2,1H3,(H,9,10)
InChIKey VQVGTOOKQICMAZ-UHFFFAOYSA-N
Molecular Weight 140.138 g/mol
SMILES OC(=O)C1=C(C)C(=O)CC1
SPLASH splash10-0006-0900000000-77376bd7b0cb967f1b34
Source of Spectrum C-106-4864-0
Wiley ID 1139104