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N-(Benzyloxycarbonyl)-3-hepta-1,6-diene

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

N-(Benzyloxycarbonyl)-3-hepta-1,6-diene
SpectraBase Compound ID Apdbq85TivC
InChI InChI=1S/C15H19NO2/c1-2-3-4-5-9-12-16-15(17)18-13-14-10-7-6-8-11-14/h2,6-12H,1,3-5,13H2,(H,16,17)/b12-9+
InChIKey CTFJBRIJIYHBOU-FMIVXFBMSA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IZU4JcQ7qr9
Name N-(Benzyloxycarbonyl)-3-hepta-1,6-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.141578854 u
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-2-3-4-5-9-12-16-15(17)18-13-14-10-7-6-8-11-14/h2,6-12H,1,3-5,13H2,(H,16,17)/b12-9+
InChIKey CTFJBRIJIYHBOU-FMIVXFBMSA-N
Molecular Weight 245.322 g/mol
SMILES C(=O)(N\C=C\CCCC=C)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904738