| SpectraBase Spectrum ID |
H2HcLEmD4Hw |
| Name |
(4R)-4-Methoxycarbonyl-4-methyl-2-cinnamyl-.deata.(2)-thiazoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.082349899 u |
| Formula |
C14H15NO2S |
| InChI |
InChI=1S/C14H15NO2S/c1-14(13(16)17-2)10-18-12(15-14)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8+/t14-/m0/s1 |
| InChIKey |
HCWUWMMLDHSGMY-VFNNOXKTSA-N |
| Molecular Weight |
261.339 g/mol |
| SMILES |
[C@]1(N=C(\C=C\C=2C=CC=CC2)SC1)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809563 |
