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5,8-dimethylchroman-2-one
SpectraBase Compound ID GyfIhLrKRf2
InChI InChI=1S/C11H12O2/c1-7-3-4-8(2)11-9(7)5-6-10(12)13-11/h3-4H,5-6H2,1-2H3
InChIKey QLDGKQDIMYHIQP-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AjIfCi26fr
Name 5,8-dimethylchroman-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.083729624 u
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-7-3-4-8(2)11-9(7)5-6-10(12)13-11/h3-4H,5-6H2,1-2H3
InChIKey QLDGKQDIMYHIQP-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF GCX
Ionization Type EI
Literature Reference DOI 10.1002/chem.201705808
Molecular Weight 176.215 g/mol
Quality 69
Reported Formula C11H12O2
SMILES CC1=CC=C(C2=C1OC(CC2)=O)C
SPLASH splash10-0059-0900000000-f186462c2a14d0bf3301
Source of Spectrum QE-24-SM42-2d' (DOI: 10.1002/chem.201705808)
Thin-Layer Chromatography 0.17 (CyH/EtOAc, 95:5)
Wiley ID 1900093