SpectraBase Spectrum ID |
G0bsLNmO83Y |
Name |
Oxalic acid, monoamide, N-cycloheptyl-, octyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
297.230393859 u |
Formula |
C17H31NO3 |
InChI |
InChI=1S/C17H31NO3/c1-2-3-4-5-8-11-14-21-17(20)16(19)18-15-12-9-6-7-10-13-15/h15H,2-14H2,1H3,(H,18,19) |
InChIKey |
MQUFJLOJJVERTQ-UHFFFAOYSA-N |
SMILES |
C(CCOC(C(NC1CCCCCC1)=O)=O)CCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856547 |