SpectraBase Spectrum ID |
AucYExHmBwK |
Name |
Carbonic acid, monoamide, N-nonyl-, benzyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
277.204179111 u |
Formula |
C17H27NO2 |
InChI |
InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-11-14-18-17(19)20-15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3,(H,18,19) |
InChIKey |
GYUIWZBQNBYGFY-UHFFFAOYSA-N |
Molecular Weight |
277.408 g/mol |
SMILES |
C(OCC=1C=CC=CC1)(=O)NCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851838 |