SpectraBase Spectrum ID |
B94EBraq0eK |
Name |
Carbonic acid, monoamide, N-heptyl-, menthyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
297.266779369 u |
Formula |
C18H35NO2 |
InChI |
InChI=1S/C18H35NO2/c1-5-6-7-8-9-12-19-18(20)21-17-13-15(4)10-11-16(17)14(2)3/h14-17H,5-13H2,1-4H3,(H,19,20) |
InChIKey |
QRLOFKTWLNWSNY-UHFFFAOYSA-N |
SMILES |
CC1CC(OC(=O)NCCCCCCC)C(C(C)C)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934635 |