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Carbonic acid, monoamide, N-pentyl-, benzyl ester

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Carbonic acid, monoamide, N-pentyl-, benzyl ester
SpectraBase Compound ID veavOvgSbc
InChI InChI=1S/C13H19NO2/c1-2-3-7-10-14-13(15)16-11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,14,15)
InChIKey LEUPRLHARDTMBM-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JnpELEgYFdx
Name Carbonic acid, monoamide, N-pentyl-, benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.141578854 u
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-2-3-7-10-14-13(15)16-11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,14,15)
InChIKey LEUPRLHARDTMBM-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES C(OCC=1C=CC=CC1)(=O)NCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840168