| SpectraBase Spectrum ID |
3dhcG4mwwvN |
| Name |
Carbonic acid, monoamide, N-(2-phenylethyl)-N-octyl-, 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/c1-5-6-7-8-9-13-19-28(20-18-24-14-11-10-12-15-24)27(29)30-26-21-23(4)16-17-25(26)22(2)3/h10-12,14-15,22-23,25-26H,5-9,13,16-21H2,1-4H3 |
| InChIKey |
LJAGADOEEGXIRW-UHFFFAOYSA-N |
| Molecular Weight |
415.662 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)OC1C(C(C)C)CCC(C)C1)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875571 |
