| SpectraBase Spectrum ID |
ADwBn4vYP5H |
| Name |
Benzamide, 4-tert-butyl-N-propyl-N-(hept-2-yl)- |
| 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/c1-7-9-10-11-17(3)22(16-8-2)20(23)18-12-14-19(15-13-18)21(4,5)6/h12-15,17H,7-11,16H2,1-6H3 |
| InChIKey |
ALSPNVJLZBQOQG-UHFFFAOYSA-N |
| Molecular Weight |
317.517 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(N(CCC)C(CCCCC)C)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954701 |
