| SpectraBase Spectrum ID |
Jrx0CDTQuI1 |
| Name |
5-Isopropyl-6-(.alpha.-oxopyrrolidinocarbonyl)bicyclo-(2.2.1)hept-2-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.157228918 u |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-9(2)13-10-5-6-11(8-10)14(13)15(18)16-7-3-4-12(16)17/h5-6,9-11,13-14H,3-4,7-8H2,1-2H3/t10-,11+,13-,14-/m1/s1 |
| InChIKey |
SETCHLYBEBXRCT-ZMJPVWNMSA-N |
| Molecular Weight |
247.338 g/mol |
| SMILES |
C=1[C@]2([C@]([C@@]([C@@](C1)(C2)[H])(C(=O)N1C(CCC1)=O)[H])(C(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875937 |
