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(1-Benzyl-3-butenyl)carbamic acid, ethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

(1-Benzyl-3-butenyl)carbamic acid, ethyl ester
SpectraBase Compound ID 6tnWvCVPdrJ
InChI InChI=1S/C14H19NO2/c1-3-8-13(15-14(16)17-4-2)11-12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3,(H,15,16)
InChIKey IBCRCBOSNDNPKO-UHFFFAOYSA-N
Mol Weight 233.31 g/mol
Molecular Formula C14H19NO2
Exact Mass 233.141579 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BnUFBj6M2Sl
Name (1-Benzyl-3-butenyl)carbamic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.141578854 u
Formula C14H19NO2
InChI InChI=1S/C14H19NO2/c1-3-8-13(15-14(16)17-4-2)11-12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3,(H,15,16)
InChIKey IBCRCBOSNDNPKO-UHFFFAOYSA-N
Molecular Weight 233.311 g/mol
SMILES N(C(CC1=CC=CC=C1)CC=C)C(OCC)=O
Spectrum/Structure Validation Score (Raman) 0.976071