| SpectraBase Spectrum ID |
4GJmbrbuCkI |
| Name |
3-Keto-4-methyl-4-phthalimido-2-triphenylphosphoranylidene-valeric acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
563.186160063 u |
| Formula |
C34H30NO5P |
| InChI |
InChI=1S/C34H30NO5P/c1-4-40-33(39)29(30(36)34(2,3)35-31(37)27-22-14-15-23-28(27)32(35)38)41(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-23H,4H2,1-3H3 |
| InChIKey |
VNPPMJQKSAYJJE-UHFFFAOYSA-N |
| Molecular Weight |
563.590 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C12)=O)C(C(C(=P(C1=CC=CC=C1)(C=1C=CC=CC1)C=1C=CC=CC1)C(=O)OCC)=O)(C)C)=O |
