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2-Tert-butyl-2,3-dihydrochromen-4-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-Tert-butyl-2,3-dihydrochromen-4-one
SpectraBase Compound ID CQlQ7zev0q
InChI InChI=1S/C13H16O2/c1-13(2,3)12-8-10(14)9-6-4-5-7-11(9)15-12/h4-7,12H,8H2,1-3H3
InChIKey OMYOZUFZEQSNSK-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID vfMxLvaCER
Name 2-Tert-butyl-2,3-dihydrochromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-13(2,3)12-8-10(14)9-6-4-5-7-11(9)15-12/h4-7,12H,8H2,1-3H3
InChIKey OMYOZUFZEQSNSK-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(OC2=C(C(C1)=O)C=CC=C2)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818157