SpectraBase Spectrum ID |
K8FPocq7d9o |
Name |
Carbonic acid, monoamide, N-hept-2-yl-, 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/c1-6-7-8-9-15(5)19-18(20)21-17-12-14(4)10-11-16(17)13(2)3/h13-17H,6-12H2,1-5H3,(H,19,20) |
InChIKey |
BQSZVWLJMZOWLQ-UHFFFAOYSA-N |
SMILES |
CC1CC(OC(=O)NC(CCCCC)C)C(C(C)C)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956353 |