| SpectraBase Spectrum ID |
AOJOBcfshDQ |
| Name |
Dimethyl 2-(1H-isoindol-1-3(2H)-dione-2-yl)-3-(triphenylphosphoranylidene)butanedioate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
551.149774553 u |
| Formula |
C32H26NO6P |
| InChI |
InChI=1S/C32H26NO6P/c1-38-31(36)27(33-29(34)25-20-12-13-21-26(25)30(33)35)28(32(37)39-2)40(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/b32-28-/t27-/m1/s1 |
| InChIKey |
UTCYFBHHWTVZCU-WDSQAZNRSA-N |
| Molecular Weight |
551.535 g/mol |
| SMILES |
[C@](N1C(C=2C=CC=CC2C1=O)=O)(\C([P+](C=1C=CC=CC1)(C1=CC=CC=C1)C=1C=CC=CC1)=C/([O-])OC)(C(=O)OC)[H] |
