| SpectraBase Spectrum ID |
9d8JI3tC8Yj |
| Name |
Benzamide, 3-bromo-N-(2-pentyl)-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.151077589 u |
| Formula |
C19H30BrNO |
| InChI |
InChI=1S/C19H30BrNO/c1-4-6-7-8-9-14-21(16(3)11-5-2)19(22)17-12-10-13-18(20)15-17/h10,12-13,15-16H,4-9,11,14H2,1-3H3 |
| InChIKey |
WCDCMJIKIMISQB-UHFFFAOYSA-N |
| Molecular Weight |
368.359 g/mol |
| SMILES |
C(N(CCCCCCC)C(CCC)C)(=O)C=1C=C(C=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817064 |
