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2H-Pyran-2-carboxylic acid, 5-ethylidene-5,6-dihydro-2,3-dimethyl-6-oxo-, [S-(E)]-
SpectraBase Compound ID DLbgxroZIMV
InChI InChI=1S/C10H12O4/c1-4-7-5-6(2)10(3,9(12)13)14-8(7)11/h4-5H,1-3H3,(H,12,13)/b7-4+
InChIKey FIUFNZNVZDLYHQ-QPJJXVBHSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2npa6fWi8G
Name 2H-Pyran-2-carboxylic acid, 5-ethylidene-5,6-dihydro-2,3-dimethyl-6-oxo-, [S-(E)]-
CAS Registry Number 19776-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-4-7-5-6(2)10(3,9(12)13)14-8(7)11/h4-5H,1-3H3,(H,12,13)/b7-4+
InChIKey FIUFNZNVZDLYHQ-QPJJXVBHSA-N
Molecular Weight 196.202 g/mol
SMILES OC(C1(C(=C\C(=C/C)C(O1)=O)C)C)=O
SPLASH splash10-0udl-6900000000-92e8d163b8ec292ea06b
Source of Spectrum G-34-1460-1
Synonyms (5E)-5-Ethylidene-2,3-dimethyl-6-oxo-5,6-dihydro-2H-pyran-2-carboxylic acid (5E)-5-ethylidene-2,3-dimethyl-6-oxidanylidene-pyran-2-carboxylic acid (5E)-5-ethylidene-2,3-dimethyl-6-oxo-2-pyrancarboxylic acid (5E)-5-ethylidene-2,3-dimethyl-6-oxo-pyran-2-carboxylic acid (5E)-5-ethylidene-6-keto-2,3-dimethyl-pyran-2-carboxylic acid Clivonecic acid
Wiley ID 1192733