| SpectraBase Spectrum ID |
KddZes3A8ww |
| Name |
5-Phenyl-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 |
281.141578854 u |
| Formula |
C18H19NO2 |
| InChI |
InChI=1S/C18H19NO2/c20-15-7-4-10-19(15)18(21)17-14-9-8-13(11-14)16(17)12-5-2-1-3-6-12/h1-3,5-6,8-9,13-14,16-17H,4,7,10-11H2/t13-,14+,16-,17-/m1/s1 |
| InChIKey |
ZDQUOBMGULDRHI-YALNPMBYSA-N |
| Molecular Weight |
281.355 g/mol |
| SMILES |
C1=C[C@]2(C[C@@]1([C@]([C@@]2(C(=O)N1C(CCC1)=O)[H])(C1=CC=CC=C1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92514 |
