| SpectraBase Spectrum ID |
Dqsi12KBO21 |
| Name |
Carbonic acid, monoamide, N-(2-phenylethyl)-N-heptyl-, menthyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.329379627 u |
| Formula |
C26H43NO2 |
| InChI |
InChI=1S/C26H43NO2/c1-5-6-7-8-12-18-27(19-17-23-13-10-9-11-14-23)26(28)29-25-20-22(4)15-16-24(25)21(2)3/h9-11,13-14,21-22,24-25H,5-8,12,15-20H2,1-4H3 |
| InChIKey |
CGHIIGORJIGMBL-UHFFFAOYSA-N |
| Molecular Weight |
401.635 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)OC1C(C(C)C)CCC(C)C1)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851074 |
