SpectraBase Spectrum ID |
JM6g8PsYFyn |
Name |
Trans-[3-(p-bromophenyl)-3-oxopropenyl]trimethylammonium chloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
303.002554806 u |
Formula |
C12H15BrClNO |
InChI |
InChI=1S/C12H15BrNO.ClH/c1-14(2,3)9-8-12(15)10-4-6-11(13)7-5-10;/h4-9H,1-3H3;1H/q+1;/p-1/b9-8+; |
InChIKey |
VMJBQQBBNQJEDE-HRNDJLQDSA-M |
SMILES |
[Cl-].C=1C=C(C=CC1Br)C(\C=C\[N+](C)(C)C)=O |
Spectrum/Structure Validation Score (Raman) |
0.953221 |