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2H-1-Benzopyran-2-one, 4-methyl-3-propyl-

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

2H-1-Benzopyran-2-one, 4-methyl-3-propyl-
SpectraBase Compound ID 8rxORvBkfVD
InChI InChI=1S/C13H14O2/c1-3-6-11-9(2)10-7-4-5-8-12(10)15-13(11)14/h4-5,7-8H,3,6H2,1-2H3
InChIKey SVEWKBYAPMBZLD-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IAmZRpr3G01
Name 2H-1-Benzopyran-2-one, 4-methyl-3-propyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.099379689 u
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-3-6-11-9(2)10-7-4-5-8-12(10)15-13(11)14/h4-5,7-8H,3,6H2,1-2H3
InChIKey SVEWKBYAPMBZLD-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C1=C2OC(=O)C(CCC)=C(C2=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876681