| SpectraBase Spectrum ID |
IGCcnXSLEX2 |
| Name |
2-Butyl-3.alpha.,4,7,7.alpha.-tetrahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-2-3-6-13-11(14)9-7-4-5-8(16-7)10(9)12(13)15/h4-5,7-10H,2-3,6H2,1H3/t7-,8+,9-,10+ |
| InChIKey |
LJWFVGRNDAJTKW-YNFQOJQRSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
[C@]12([C@](C(=O)N(C2=O)CCCC)([C@@]2(O[C@]1(C=C2)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904936 |
