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3-tert-Butyl-1-benzopyran-2-one
SpectraBase Compound ID 2a1B0nYKlil
InChI InChI=1S/C13H14O2/c1-13(2,3)10-8-9-6-4-5-7-11(9)15-12(10)14/h4-8H,1-3H3
InChIKey XHDYZSTXPQVFQJ-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cJkfpKRCy
Name 3-tert-Butyl-1-benzopyran-2-one
Alternate Name(s) 3-tert-Butyl-2H-chromen-2-one 3-tert-Butylchromen-2-one 3-tert-Butylcoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-13(2,3)10-8-9-6-4-5-7-11(9)15-12(10)14/h4-8H,1-3H3
InChIKey XHDYZSTXPQVFQJ-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C1(Oc2ccccc2C=C1C(C)(C)C)=O
SPLASH splash10-01p9-0910000000-1e0779b8f2836a5bf886
Source of Spectrum C-117-3961-0
Wiley ID 758939