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3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one
SpectraBase Compound ID BhhEFkePNYp
InChI InChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h5-6H,3-4H2,1-2H3
InChIKey SMUXTLISYBPIAU-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPmujMchc4Z
Name 3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
CAS Registry Number 529-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h5-6H,3-4H2,1-2H3
InChIKey SMUXTLISYBPIAU-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES c12c(occ2C)CC(CC1=O)C
SPLASH splash10-0229-2900000000-85bbfc30234ce73b9cef
Source of Spectrum J-59-5973-6
Synonyms Evodone 4(5H)-Benzofuranone, 6,7-dihydro-3,6-dimethyl-, (R)- 3,6-Dimethyl-6,7-dihydro-5H-1-benzofuran-4-one 3,6-Dimethyl-6,7-dihydro-5H-benzofuran-4-one
Wiley ID 1160543