| SpectraBase Spectrum ID |
K3ay5PsiwtT |
| Name |
Benzamide, 3-bromo-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 |
339.119777460 u |
| Formula |
C17H26BrNO |
| InChI |
InChI=1S/C17H26BrNO/c1-5-7-14(4)19(11-10-13(2)3)17(20)15-8-6-9-16(18)12-15/h6,8-9,12-14H,5,7,10-11H2,1-4H3 |
| InChIKey |
ATZYSTDEQNETRD-UHFFFAOYSA-N |
| Molecular Weight |
340.305 g/mol |
| SMILES |
C(N(CCC(C)C)C(CCC)C)(=O)C=1C=C(C=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915698 |
