SpectraBase Spectrum ID |
AhkMMnUB7W |
Name |
Carbonic acid, monoamide, N-undecyl-, benzyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
305.235479240 u |
Formula |
C19H31NO2 |
InChI |
InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-13-16-20-19(21)22-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3,(H,20,21) |
InChIKey |
ADPZAVUFVHXOJR-UHFFFAOYSA-N |
Molecular Weight |
305.462 g/mol |
SMILES |
C(OCC=1C=CC=CC1)(=O)NCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828596 |