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4,5-Dimethyl-1,4,4a,5,6,8a-hexahydroisochromen-3-one
SpectraBase Compound ID FqwLR38gS4G
InChI InChI=1S/C11H16O2/c1-7-4-3-5-9-6-13-11(12)8(2)10(7)9/h3,5,7-10H,4,6H2,1-2H3
InChIKey BPEIFVLVOWPKGK-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAK23JYmnjn
Name 4,5-Dimethyl-1,4,4a,5,6,8a-hexahydroisochromen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-7-4-3-5-9-6-13-11(12)8(2)10(7)9/h3,5,7-10H,4,6H2,1-2H3
InChIKey BPEIFVLVOWPKGK-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES C1(C(C2C(CC=CC2CO1)C)C)=O
SPLASH splash10-00kf-9100000000-8511f1eff2615a25814a
Source of Spectrum QB-14-452-9
Synonyms 4,5-Dimethyl-1,4,4a,5,6,8a-hexahydro-3H-2-benzopyran-3-one
Wiley ID 841328