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3-(1,1-Dimethylethyl)dihydrocoumarin

View entire compound with spectra: 1 MS (GC)

3-(1,1-Dimethylethyl)dihydrocoumarin
SpectraBase Compound ID 9M5SsKurdmf
InChI InChI=1S/C13H16O2/c1-13(2,3)10-8-9-6-4-5-7-11(9)15-12(10)14/h4-7,10H,8H2,1-3H3
InChIKey NSKCOHUCTXDBHS-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vK8EqtZJI
Name 3-(1,1-Dimethylethyl)dihydrocoumarin
Alternate Name(s) 3-tert-Butyl-2-chromanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-13(2,3)10-8-9-6-4-5-7-11(9)15-12(10)14/h4-7,10H,8H2,1-3H3
InChIKey NSKCOHUCTXDBHS-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(Oc2ccccc2CC1C(C)(C)C)=O
SPLASH splash10-0a5i-2900000000-ee616db963d348224945
Source of Spectrum C-117-3961-12
Wiley ID 758938