| SpectraBase Spectrum ID |
51FIKuRluOS |
| Name |
Carbonic acid, monoamide, N-(2-phenylethyl)-N-undecyl-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.345029691 u |
| Formula |
C26H45NO2 |
| InChI |
InChI=1S/C26H45NO2/c1-3-5-7-9-10-11-12-13-17-22-27(23-21-25-19-15-14-16-20-25)26(28)29-24-18-8-6-4-2/h14-16,19-20H,3-13,17-18,21-24H2,1-2H3 |
| InChIKey |
FNEJTUDPGWLVGW-UHFFFAOYSA-N |
| Molecular Weight |
403.651 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)OCCCCCC)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93469 |
