| SpectraBase Spectrum ID |
CoAAdnpH3Yb |
| Name |
Valeramide, 2-methyl-N-(2-phenylethyl)-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.287514814 u |
| Formula |
C22H37NO |
| InChI |
InChI=1S/C22H37NO/c1-5-8-13-20(7-3)18-23(22(24)19(4)12-6-2)17-16-21-14-10-9-11-15-21/h9-11,14-15,19-20H,5-8,12-13,16-18H2,1-4H3 |
| InChIKey |
FZMYZSUCXUXQFM-UHFFFAOYSA-N |
| Molecular Weight |
331.544 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C(CCC)C)CC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935449 |
