| SpectraBase Spectrum ID |
A8q2m6zyZE7 |
| Name |
Dimethyl 2-(1,3-benzothiazol-2-ylamino)-3-(triphenylphosphoranylidene)butanedioate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
554.142915525 u |
| Formula |
C31H27N2O4PS |
| InChI |
InChI=1S/C31H27N2O4PS/c1-36-29(34)27(33-31-32-25-20-12-13-21-26(25)39-31)28(30(35)37-2)38(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-21,27H,1-2H3,(H,32,33) |
| InChIKey |
OEOATWCWFJXXNL-UHFFFAOYSA-N |
| Molecular Weight |
554.601 g/mol |
| SMILES |
C(C(NC1=NC2=CC=CC=C2S1)C(=O)OC)(=P(C1=CC=CC=C1)(C1=CC=CC=C1)C=1C=CC=CC1)C(=O)OC |
