| SpectraBase Spectrum ID |
9waiWvGnwlU |
| Name |
Carbonic acid, monoamide, N-(2-phenylethyl)-N-dodecyl-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.360679755 u |
| Formula |
C27H47NO2 |
| InChI |
InChI=1S/C27H47NO2/c1-3-5-7-9-10-11-12-13-14-18-23-28(24-22-26-20-16-15-17-21-26)27(29)30-25-19-8-6-4-2/h15-17,20-21H,3-14,18-19,22-25H2,1-2H3 |
| InChIKey |
FOAMFRXKDHOOQW-UHFFFAOYSA-N |
| Molecular Weight |
417.678 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)OCCCCCC)CCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918834 |
