| SpectraBase Spectrum ID |
BbtfLcqPnv4 |
| Name |
(S)-1-Benzyl-3-(3-methylbut-2-enyl)-3-(2-nitrovinyl)-2-oxindole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.163042573 u |
| Formula |
C22H22N2O3 |
| InChI |
InChI=1S/C22H22N2O3/c1-17(2)12-13-22(14-15-24(26)27)19-10-6-7-11-20(19)23(21(22)25)16-18-8-4-3-5-9-18/h3-12,14-15H,13,16H2,1-2H3/b15-14+/t22-/m0/s1 |
| InChIKey |
HMDQITNVRMPOJL-FRFYRWIFSA-N |
| Molecular Weight |
362.429 g/mol |
| SMILES |
C1(N(C=2C([C@@]1(\C=C\N(=O)=O)CC=C(C)C)=CC=CC2)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948994 |
