SpectraBase Spectrum ID |
DPyDaOR95w8 |
Name |
Carbonic acid, monoamide, N-pentyl-, menthyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.235479240 u |
Formula |
C16H31NO2 |
InChI |
InChI=1S/C16H31NO2/c1-5-6-7-10-17-16(18)19-15-11-13(4)8-9-14(15)12(2)3/h12-15H,5-11H2,1-4H3,(H,17,18) |
InChIKey |
NUNDBFKCSPKBBF-UHFFFAOYSA-N |
SMILES |
CC1CC(OC(=O)NCCCCC)C(C(C)C)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955071 |