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(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-yl)acetic acid
SpectraBase Compound ID 4KLEd4NsIj9
InChI InChI=1S/C13H16O4/c1-7-8(4-11(15)16)12-9(14)5-13(2,3)6-10(12)17-7/h4-6H2,1-3H3,(H,15,16)
InChIKey QXTOASVQCPLPEK-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfukbXCDH9I
Name (2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-yl)acetic acid
CAS Registry Number 97024-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-7-8(4-11(15)16)12-9(14)5-13(2,3)6-10(12)17-7/h4-6H2,1-3H3,(H,15,16)
InChIKey QXTOASVQCPLPEK-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(Cc1c2c(oc1C)CC(CC2=O)(C)C)=O
SPLASH splash10-000f-9700000000-5e8c5b1ef3200baf0636
Synonyms (2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-benzofuran-3-yl)-acetic acid 2-(2,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-3-yl)ethanoic acid 2-(2,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-3-yl)acetic acid 2-(2,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-3-yl)acetic acid 2-(4-keto-2,6,6-trimethyl-5,7-dihydrobenzofuran-3-yl)acetic acid
Wiley ID 1458478