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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 K10IbWCXOlV
Name Evodone
CAS Registry Number 30557-66-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 164.083729624 u
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
Number of Peaks 50
RI1 1340
SMILES c12c(occ2C)CC(CC1=O)C
SPLASH splash10-022c-7900000000-fac3d6b766e4aa70c855
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 4(5H)-Benzofuranone, 6,7-dihydro-3,6-dimethyl-
Wiley ID LM_FFNSC3_2806