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4-(3,5-dimethyl-4-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid

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4-(3,5-dimethyl-4-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid
SpectraBase Compound ID 3IUNzAJz5vs
InChI InChI=1S/C12H14O4/c1-7-5-9(6-8(2)12(7)16)10(13)3-4-11(14)15/h5-6,16H,3-4H2,1-2H3,(H,14,15)
InChIKey KKCAMFSPJNWASG-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iyod7dhufPQ
Name 4-(3,5-dimethyl-4-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-7-5-9(6-8(2)12(7)16)10(13)3-4-11(14)15/h5-6,16H,3-4H2,1-2H3,(H,14,15)
InChIKey KKCAMFSPJNWASG-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES Oc1c(cc(C(CCC(=O)O)=O)cc1C)C
SPLASH splash10-0002-2910000000-f2a1b56b13ccac6a5907
Source of Spectrum IC-578-0-0
Synonyms 4-(4-hydroxy-3,5-dimethyl-phenyl)-4-keto-butyric acid 4-(4-hydroxy-3,5-dimethyl-phenyl)-4-oxo-butanoic acid
Wiley ID 1222209