SpectraBase Spectrum ID |
5lb7aQ5Apqj |
Name |
Propanamide, 2-bromo-N-(2-phenylethyl)-N-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.041527138 u |
Formula |
C12H16BrNO |
InChI |
InChI=1S/C12H16BrNO/c1-10(13)12(15)14(2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
InChIKey |
MMWUNVUPEPROLI-UHFFFAOYSA-N |
Molecular Weight |
270.170 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C(Br)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880394 |