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Carbamic acid, N-benzyl-N-heptyl-, propyl ester

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Carbamic acid, N-benzyl-N-heptyl-, propyl ester
SpectraBase Compound ID LCdjgGQwvSB
InChI InChI=1S/C18H29NO2/c1-3-5-6-7-11-14-19(18(20)21-15-4-2)16-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3
InChIKey LWPOCRZDKGLTPM-UHFFFAOYSA-N
Mol Weight 291.44 g/mol
Molecular Formula C18H29NO2
Exact Mass 291.219829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7xi3tdAtFmt
Name Carbamic acid, N-benzyl-N-heptyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.219829176 u
Formula C18H29NO2
InChI InChI=1S/C18H29NO2/c1-3-5-6-7-11-14-19(18(20)21-15-4-2)16-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3
InChIKey LWPOCRZDKGLTPM-UHFFFAOYSA-N
SMILES C(N(CCCCCCC)CC1=CC=CC=C1)(=O)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856717