| SpectraBase Spectrum ID |
FK3xwBlln3z |
| Name |
Valeramide, 5-phenyl-N-(2-pentyl)-N-(3-methylbutyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.271864750 u |
| Formula |
C21H35NO |
| InChI |
InChI=1S/C21H35NO/c1-5-11-19(4)22(17-16-18(2)3)21(23)15-10-9-14-20-12-7-6-8-13-20/h6-8,12-13,18-19H,5,9-11,14-17H2,1-4H3 |
| InChIKey |
GWRNGUGIJODAGP-UHFFFAOYSA-N |
| Molecular Weight |
317.517 g/mol |
| SMILES |
C(N(CCC(C)C)C(CCC)C)(=O)CCCCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963616 |
