| SpectraBase Spectrum ID |
8qaXHEFfGqY |
| Name |
Dispiro[2H-indene-2,4'-[4H]furo[3,4-C]pyrrole-6'(5'H),2''-[2H]indene]-1,1',1'',3,3',3''-hexone, 3'A,6'A-dihydro-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.053551691 u |
| Formula |
C22H11NO7 |
| InChI |
InChI=1S/C22H11NO7/c24-15-9-5-1-2-6-10(9)16(25)21(15)13-14(20(29)30-19(13)28)22(23-21)17(26)11-7-3-4-8-12(11)18(22)27/h1-8,13-14,23H |
| InChIKey |
XABQFIHRFKQCQS-UHFFFAOYSA-N |
| Molecular Weight |
401.330 g/mol |
| SMILES |
C12(C3C(C(=O)OC3=O)C3(N1)C(C=1C=CC=CC1C3=O)=O)C(C=1C=CC=CC1C2=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94048 |
![Dispiro[2H-indene-2,4'-[4H]furo[3,4-c]pyrrole-6'(5'H),2''-[2H]indene]-1,1',1'',3,3',3''-hexone, 3'a,6'a-dihydro-, cis-](/api/spectrum/8qaXHEFfGqY/structure.png?h=300&w=458 "Dispiro[2H-indene-2,4'-[4H]furo[3,4-c]pyrrole-6'(5'H),2''-[2H]indene]-1,1',1'',3,3',3''-hexone, 3'a,6'a-dihydro-, cis-")
