| SpectraBase Spectrum ID |
G0UWqZt8V2G |
| Name |
4,7-Etheno-1H-cyclobut[F]isoindole-5-acetic acid, 6-[(2,3,3A,4,7,7A-hexahydro-2-methyl-1,3-dioxo-7-phenyl-1H-isoindol-4 -yl)methyl]-2,3,3A,4,4A,5,6,6A,7,7A-decahydro-2-methyl-1,3-dioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
528.226036752 u |
| Formula |
C31H32N2O6 |
| InChI |
InChI=1S/C31H32N2O6/c1-32-28(36)22-15(8-9-16(25(22)29(32)37)14-6-4-3-5-7-14)12-19-20(13-21(34)35)24-18-11-10-17(23(19)24)26-27(18)31(39)33(2)30(26)38/h3-11,15-20,22-27H,12-13H2,1-2H3,(H,34,35) |
| InChIKey |
IQNKOQICRDYERX-UHFFFAOYSA-N |
| Molecular Weight |
528.605 g/mol |
| SMILES |
C1(N(C(C2C3C4C(C(C4C(C12)C=C3)CC(=O)O)CC1C2C(N(C)C(C2C(C=C1)C1=CC=CC=C1)=O)=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977491 |
![4,7-Etheno-1H-cyclobut[f]isoindole-5-acetic acid, 6-[(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-7-phenyl-1H-isoindol-4 -yl)methyl]-2,3,3a,4,4a,5,6,6a,7,7a-decahydro-2-methyl-1,3-dioxo-](/api/spectrum/G0UWqZt8V2G/structure.png?h=300&w=458 "4,7-Etheno-1H-cyclobut[f]isoindole-5-acetic acid, 6-[(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-7-phenyl-1H-isoindol-4 -yl)methyl]-2,3,3a,4,4a,5,6,6a,7,7a-decahydro-2-methyl-1,3-dioxo-")
