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(E)-3-(Hept-1-en-1-yl)-5,6-dihydro-2H-pyran-2-one

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

(E)-3-(Hept-1-en-1-yl)-5,6-dihydro-2H-pyran-2-one
SpectraBase Compound ID H0wZE2yoBsX
InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-8-11-9-7-10-14-12(11)13/h6,8-9H,2-5,7,10H2,1H3/b8-6+
InChIKey BJMZLKPRFNTZFZ-SOFGYWHQSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H0eVYJOZAYB
Name (E)-3-(Hept-1-en-1-yl)-5,6-dihydro-2H-pyran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-8-11-9-7-10-14-12(11)13/h6,8-9H,2-5,7,10H2,1H3/b8-6+
InChIKey BJMZLKPRFNTZFZ-SOFGYWHQSA-N
Molecular Weight 194.274 g/mol
SMILES C1COC(=O)C(\C=C\CCCCC)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916275