| SpectraBase Spectrum ID |
AYagw9ZkFMs |
| Name |
4-Bromodithio-3-methylcarbanilic acid, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.115955382 u |
| Formula |
C20H32BrNS2 |
| InChI |
InChI=1S/C20H32BrNS2/c1-3-4-5-6-7-8-9-10-11-12-15-24-20(23)22-18-13-14-19(21)17(2)16-18/h13-14,16H,3-12,15H2,1-2H3,(H,22,23) |
| InChIKey |
PJQLWGHMLCAWGY-UHFFFAOYSA-N |
| Molecular Weight |
430.507 g/mol |
| SMILES |
N(C1=CC=C(C(=C1)C)Br)C(SCCCCCCCCCCCC)=S |
| Spectrum/Structure Validation Score (Raman) |
0.817641 |
