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Cyclopentene-4-sulfonic acid, 1-carboxy-2,3,3-trimethyl-
SpectraBase Compound ID AhgUXXfF7Iq
InChI InChI=1S/C9H14O5S/c1-5-6(8(10)11)4-7(9(5,2)3)15(12,13)14/h7H,4H2,1-3H3,(H,10,11)(H,12,13,14)
InChIKey ZWVUJDZGZWNCKF-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C9H14O5S
Exact Mass 234.056195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ly67rTYS8GB
Name Cyclopentene-4-sulfonic acid, 1-carboxy-2,3,3-trimethyl-
Alternate Name(s) 2,3,3-Trimethyl-4-sulfo-1-cyclopentene-1-carboxylic acid 2,3,3-trimethyl-4-sulfo-1-cyclopentenecarboxylic acid 2,3,3-trimethyl-4-sulfo-cyclopentene-1-carboxylic acid
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Formula C9H14O5S
InChI InChI=1S/C9H14O5S/c1-5-6(8(10)11)4-7(9(5,2)3)15(12,13)14/h7H,4H2,1-3H3,(H,10,11)(H,12,13,14)
InChIKey ZWVUJDZGZWNCKF-UHFFFAOYSA-N
Molecular Weight 234.266 g/mol
SMILES OC(C=1CC(S(=O)(=O)O)C(C1C)(C)C)=O
SPLASH splash10-0f76-9620000000-0a0961d6a66ab16e5b14
Wiley ID 1491996