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2-Butyl-2,3-dihydrochromen-4-one

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

2-Butyl-2,3-dihydrochromen-4-one
SpectraBase Compound ID IkDJhwBdIOD
InChI InChI=1S/C13H16O2/c1-2-3-6-10-9-12(14)11-7-4-5-8-13(11)15-10/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKey LRNCHVKESPLJCQ-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 BInGMHtJJiK
Name 2-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/c1-2-3-6-10-9-12(14)11-7-4-5-8-13(11)15-10/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKey LRNCHVKESPLJCQ-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(C2=C(C=CC=C2)OC(C1)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849097