SpectraBase Spectrum ID |
IB2x6fNKZOR |
Name |
Carbonic acid, monoamide, N-benzyl-N-nonyl-, menthyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
415.345029691 u |
Formula |
C27H45NO2 |
InChI |
InChI=1S/C27H45NO2/c1-5-6-7-8-9-10-14-19-28(21-24-15-12-11-13-16-24)27(29)30-26-20-23(4)17-18-25(26)22(2)3/h11-13,15-16,22-23,25-26H,5-10,14,17-21H2,1-4H3 |
InChIKey |
HMPLBHSFMQLYRH-UHFFFAOYSA-N |
Molecular Weight |
415.662 g/mol |
SMILES |
C(N(CCCCCCCCC)CC1=CC=CC=C1)(=O)OC1CC(C)CCC1C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89954 |