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4-(hept-1-enyl)-2H-chromen-2-one

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

4-(hept-1-enyl)-2H-chromen-2-one
SpectraBase Compound ID HEl5yzALfvZ
InChI InChI=1S/C16H18O2/c1-2-3-4-5-6-9-13-12-16(17)18-15-11-8-7-10-14(13)15/h6-12H,2-5H2,1H3/b9-6+
InChIKey FUDICDKQNAXJNH-RMKNXTFCSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LtK4mKFCqsy
Name 4-(Hept-1-enyl)-2H-chromen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.130679818 u
Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-2-3-4-5-6-9-13-12-16(17)18-15-11-8-7-10-14(13)15/h6-12H,2-5H2,1H3/b9-6+
InChIKey FUDICDKQNAXJNH-RMKNXTFCSA-N
Molecular Weight 242.318 g/mol
SMILES C1=CC=C2C(=C1)C(=CC(O2)=O)\C=C\CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955693