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

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Carbonic acid, monoamide, N-octyl-, benzyl ester
SpectraBase Compound ID GjY3txrekG1
InChI InChI=1S/C16H25NO2/c1-2-3-4-5-6-10-13-17-16(18)19-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18)
InChIKey CTYILZBEBJBXTP-UHFFFAOYSA-N
Mol Weight 263.38 g/mol
Molecular Formula C16H25NO2
Exact Mass 263.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JBLo9iFI3Qf
Name Carbonic acid, monoamide, N-octyl-, benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.188529047 u
Formula C16H25NO2
InChI InChI=1S/C16H25NO2/c1-2-3-4-5-6-10-13-17-16(18)19-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18)
InChIKey CTYILZBEBJBXTP-UHFFFAOYSA-N
Molecular Weight 263.381 g/mol
SMILES C(OCC=1C=CC=CC1)(=O)NCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890347