| SpectraBase Spectrum ID |
EUsNSqMJaLu |
| Name |
Dimethyl-4-acetamido-5-phenylthiocyclohexa-1,4-diene-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.098393885 u |
| Formula |
C18H19NO5S |
| InChI |
InChI=1S/C18H19NO5S/c1-11(20)19-15-9-13(17(21)23-2)14(18(22)24-3)10-16(15)25-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20) |
| InChIKey |
ZLIHWLWILKCSHO-UHFFFAOYSA-N |
| Molecular Weight |
361.412 g/mol |
| SMILES |
C1(SC2=CC=CC=C2)=C(CC(=C(C(=O)OC)C1)C(=O)OC)NC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954476 |
