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3-Furanacetic acid, 2,5-dihydro-4,5,5-trimethyl-2-oxo-
SpectraBase Compound ID 34sWY2bV8Lq
InChI InChI=1S/C9H12O4/c1-5-6(4-7(10)11)8(12)13-9(5,2)3/h4H2,1-3H3,(H,10,11)
InChIKey DSOMOKXCUSNQHX-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtKzsaNljRh
Name 3-Furanacetic acid, 2,5-dihydro-4,5,5-trimethyl-2-oxo-
CAS Registry Number 77613-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-5-6(4-7(10)11)8(12)13-9(5,2)3/h4H2,1-3H3,(H,10,11)
InChIKey DSOMOKXCUSNQHX-UHFFFAOYSA-N
Molecular Weight 184.191 g/mol
SMILES OC(CC=1C(OC(C1C)(C)C)=O)=O
SPLASH splash10-0006-0900000000-54d1b88e73a05c7dd6f7
Source of Spectrum I-59-299-0
Synonyms (4,5,5-trimethyl-2-oxo-2,5-dihydro-3-furanyl)acetic acid 3-Carboxymethyl-4,5,5-trimethyldihydorfuran-2-one 3-Carboxymethylidene-4,5,-trimethyldihydrofuran-2(3H)-one 2-(4,5,5-trimethyl-2-oxo-3-furanyl)acetic acid 2-(4,5,5-trimethyl-2-oxofuran-3-yl)acetic acid 2-(4,5,5-trimethyl-2-oxo-3-furyl)acetic acid 2-(4,5,5-trimethyl-2-oxidanylidene-furan-3-yl)ethanoic acid
Wiley ID 1180318