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8-Acetyl-7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
SpectraBase Compound ID 1VkuIpKfhjF
InChI InChI=1S/C13H14O4/c1-7(14)11-9(15)5-4-8-10(16)6-13(2,3)17-12(8)11/h4-5,15H,6H2,1-3H3
InChIKey FHUZBTMBCBZABG-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 5dq0Vm7Lrd3
Name 8-Acetyl-7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
CAS Registry Number 122587-29-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-7(14)11-9(15)5-4-8-10(16)6-13(2,3)17-12(8)11/h4-5,15H,6H2,1-3H3
InChIKey FHUZBTMBCBZABG-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES Oc1c(c2c(C(=O)CC(O2)(C)C)cc1)C(=O)C
SPLASH splash10-0wn9-0980000000-8d0093ea8a7ad105951e
Source of Spectrum F-45-7599-2
Synonyms 8-Acetyl-7-hydroxy-2,2-dimethyl-3H-chromen-4-one 8-Acetyl-7-hydroxy-2,2-dimethyl-chroman-4-one 8-Ethanoyl-2,2-dimethyl-7-oxidanyl-3H-chromen-4-one
Wiley ID 1235895