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5-Acetyl-6-hydroxy-3,7,7-trimethylbenzofuran-4(7H)-one
SpectraBase Compound ID 2g2W1I6e2t1
InChI InChI=1S/C13H14O4/c1-6-5-17-12-8(6)10(15)9(7(2)14)11(16)13(12,3)4/h5,16H,1-4H3
InChIKey AMBQFNLDBPRCBY-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7B6fCqi10V0
Name 5-Acetyl-6-hydroxy-3,7,7-trimethylbenzofuran-4(7H)-one
CAS Registry Number 52183-01-4
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-6-5-17-12-8(6)10(15)9(7(2)14)11(16)13(12,3)4/h5,16H,1-4H3
InChIKey AMBQFNLDBPRCBY-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES OC1=C(C(c2c(C)coc2C1(C)C)=O)C(C)=O
SPLASH splash10-00dl-7910000000-56b7bdaff4acad15c49d
Source of Spectrum W5-1989-38725-26811
Synonyms 5-Acetyl-6-hydroxy-3,7,7-trimethyl-1-benzofuran-4(7H)-one
Wiley ID 1235889