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2,2-dimethyl-7-prop-2-enoxy-3,4-dihydro-2H-1-benzopyran-4-one

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

2,2-dimethyl-7-prop-2-enoxy-3,4-dihydro-2H-1-benzopyran-4-one
SpectraBase Compound ID KMVa09BOEmJ
InChI InChI=1S/C14H16O3/c1-4-7-16-10-5-6-11-12(15)9-14(2,3)17-13(11)8-10/h4-6,8H,1,7,9H2,2-3H3
InChIKey VNGUHTNKUKMDLQ-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I5LY9tvvHOW
Name 2,2-Dimethyl-7-prop-2-enoxy-3,4-dihydro-2H-1-benzopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.109944372 u
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-4-7-16-10-5-6-11-12(15)9-14(2,3)17-13(11)8-10/h4-6,8H,1,7,9H2,2-3H3
InChIKey VNGUHTNKUKMDLQ-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES C1(CC(C=2C=CC(=CC2O1)OCC=C)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942351