| SpectraBase Spectrum ID |
3QvKKwG8u8I |
| Name |
3A,4,7,7A-Tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
163.063328532 u |
| Formula |
C9H9NO2 |
| InChI |
InChI=1S/C9H9NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h1-2,4-7H,3H2,(H,10,11,12)/t4-,5+,6?,7? |
| InChIKey |
GPIUUMROPXDNRH-DPTVFECHSA-N |
| Molecular Weight |
163.176 g/mol |
| SMILES |
C1(=O)C2C([C@@]3(C=C[C@]2(C3)[H])[H])C(N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980097 |
