| SpectraBase Spectrum ID |
FzL840LIOVa |
| Name |
(Z)-3-(4-Bromobenzylidene)-1-methylindolin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.010227009 u |
| Formula |
C16H12BrNO |
| InChI |
InChI=1S/C16H12BrNO/c1-18-15-5-3-2-4-13(15)14(16(18)19)10-11-6-8-12(17)9-7-11/h2-10H,1H3/b14-10- |
| InChIKey |
NQKLYDSSGXCLDH-UVTDQMKNSA-N |
| Molecular Weight |
314.182 g/mol |
| SMILES |
C1(\C(C=2C(N1C)=CC=CC2)=C/C1=CC=C(C=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920817 |
