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Carbonic acid, monoamide, N-benzyl-N-(2-heptyl)-, methyl ester

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

Carbonic acid, monoamide, N-benzyl-N-(2-heptyl)-, methyl ester
SpectraBase Compound ID 5FXckkus2ha
InChI InChI=1S/C16H25NO2/c1-4-5-7-10-14(2)17(16(18)19-3)13-15-11-8-6-9-12-15/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3
InChIKey MADWTBLQBPDMBO-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 YU48dq1yeO
Name Carbonic acid, monoamide, N-benzyl-N-(2-heptyl)-, methyl 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/c1-4-5-7-10-14(2)17(16(18)19-3)13-15-11-8-6-9-12-15/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3
InChIKey MADWTBLQBPDMBO-UHFFFAOYSA-N
Molecular Weight 263.381 g/mol
SMILES COC(=O)N(C(CCCCC)C)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803203