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3-Acetyl-8-tert-butylcoumarin

View entire compound with spectra: 1 MS (GC)

3-Acetyl-8-tert-butylcoumarin
SpectraBase Compound ID LA4a2HmARu6
InChI InChI=1S/C15H16O3/c1-9(16)11-8-10-6-5-7-12(15(2,3)4)13(10)18-14(11)17/h5-8H,1-4H3
InChIKey MYBNEQYJBCJOPP-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C15H16O3
Exact Mass 244.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sk395QGuG
Name 3-Acetyl-8-tert-butylcoumarin
Alternate Name(s) 3-acetyl-8-tert-butyl-1-benzopyran-2-one 3-acetyl-8-tert-butylchromen-2-one 3-acetyl-8-tert-butyl-chromen-2-one 8-tert-butyl-3-ethanoyl-chromen-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O3
InChI InChI=1S/C15H16O3/c1-9(16)11-8-10-6-5-7-12(15(2,3)4)13(10)18-14(11)17/h5-8H,1-4H3
InChIKey MYBNEQYJBCJOPP-UHFFFAOYSA-N
Molecular Weight 244.290 g/mol
SMILES C=1(C(Oc2c(C1)cccc2C(C)(C)C)=O)C(=O)C
SPLASH splash10-004l-0090000000-7bac3ded77bc80df0d1f
Source of Spectrum U1-2011-2881-5e
Wiley ID 1665394