| SpectraBase Spectrum ID |
2YNUJYi8euR |
| Name |
2-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-4-methylthiobutyric acid, 2-biphenyl-4-yl-2-oxoethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.129694014 u |
| Formula |
C27H23NO5S |
| InChI |
InChI=1S/C27H23NO5S/c1-34-16-15-23(28-25(30)21-9-5-6-10-22(21)26(28)31)27(32)33-17-24(29)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-14,23H,15-17H2,1H3 |
| InChIKey |
MYCVHQVOZTVKCF-UHFFFAOYSA-N |
| Molecular Weight |
473.543 g/mol |
| SMILES |
C(CC(C(OCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)=O)N1C(=O)C2=CC=CC=C2C1=O)SC |
