| SpectraBase Spectrum ID |
8eQe7SyNUX4 |
| Name |
N-Allyloxycarbonyl-8A-(phenylthio)perhydroisoquinolin-1,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.119129330 u |
| Formula |
C19H21NO4S |
| InChI |
InChI=1S/C19H21NO4S/c1-2-12-24-18(23)20-11-9-14-13-15(21)8-10-19(14,17(20)22)25-16-6-4-3-5-7-16/h2-7,14H,1,8-13H2/t14-,19-/m0/s1 |
| InChIKey |
LGKLDWWVNWYPAD-LIRRHRJNSA-N |
| Molecular Weight |
359.440 g/mol |
| SMILES |
C1(N(CC[C@]2(CC(CC[C@@]12SC=1C=CC=CC1)=O)[H])C(=O)OCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869231 |
