| SpectraBase Spectrum ID |
Bzaig4zVmTF |
| Name |
4-(4-Methyl-1,3-dioxo-1,3,3A,4,7,7A-hexahydroisoindol-2-yl)-benzoic acid, 1-methyl-2-oxo-2-phenylethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.157622840 u |
| Formula |
C25H23NO5 |
| InChI |
InChI=1S/C25H23NO5/c1-15-7-6-10-20-21(15)24(29)26(23(20)28)19-13-11-18(12-14-19)25(30)31-16(2)22(27)17-8-4-3-5-9-17/h3-9,11-16,20-21H,10H2,1-2H3 |
| InChIKey |
PUWUJNRQSUOKTA-UHFFFAOYSA-N |
| Molecular Weight |
417.461 g/mol |
| SMILES |
C=1CC2C(N(C(C2C(C1)C)=O)C1=CC=C(C=C1)C(=O)OC(C)C(C=1C=CC=CC1)=O)=O |
