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4H-1-Benzopyran-4-one, 2,3-dihydro-2,5-dimethyl-

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

4H-1-Benzopyran-4-one, 2,3-dihydro-2,5-dimethyl-
SpectraBase Compound ID 9JTJ80jipA4
InChI InChI=1S/C11H12O2/c1-7-4-3-5-10-11(7)9(12)6-8(2)13-10/h3-5,8H,6H2,1-2H3
InChIKey YFUMQFDXKKRKME-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3eryDwV5erQ
Name 4H-1-Benzopyran-4-one, 2,3-dihydro-2,5-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.083729624 u
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-7-4-3-5-10-11(7)9(12)6-8(2)13-10/h3-5,8H,6H2,1-2H3
InChIKey YFUMQFDXKKRKME-UHFFFAOYSA-N
Molecular Weight 176.215 g/mol
SMILES C1(=O)C2=C(OC(C1)C)C=CC=C2C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906177