| SpectraBase Spectrum ID |
9G85iZxfOKn |
| Name |
Benzamide, 2-bromo-N-(2-phenylethyl)-N-(2-heptyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.135427525 u |
| Formula |
C22H28BrNO |
| InChI |
InChI=1S/C22H28BrNO/c1-3-4-6-11-18(2)24(17-16-19-12-7-5-8-13-19)22(25)20-14-9-10-15-21(20)23/h5,7-10,12-15,18H,3-4,6,11,16-17H2,1-2H3 |
| InChIKey |
ZUPUPXFGKCUHLZ-UHFFFAOYSA-N |
| Molecular Weight |
402.376 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=CC=CC1)Br)C(CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949021 |
