| SpectraBase Spectrum ID |
DL9gJGnVO5N |
| Name |
3-Methylthio-2-benzyl-4-(4-chlorophenyl)-1,6-dioxo-2,3-dihydropyrano[3,4-C]pyrrole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.053942250 u |
| Formula |
C21H16ClNO3S |
| InChI |
InChI=1S/C21H16ClNO3S/c1-27-21-18-16(20(25)23(21)12-13-5-3-2-4-6-13)11-17(24)26-19(18)14-7-9-15(22)10-8-14/h2-11,21H,12H2,1H3 |
| InChIKey |
OEFSXOGMJIBILL-UHFFFAOYSA-N |
| Molecular Weight |
397.876 g/mol |
| SMILES |
C1(N(C(C=2C1=C(OC(C2)=O)C=1C=CC(=CC1)Cl)=O)CC=1C=CC=CC1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878359 |
![3-Methylthio-2-benzyl-4-(4-chlorophenyl)-1,6-dioxo-2,3-dihydropyrano[3,4-c]pyrrole](/api/spectrum/DL9gJGnVO5N/structure.png?h=300&w=458 "3-Methylthio-2-benzyl-4-(4-chlorophenyl)-1,6-dioxo-2,3-dihydropyrano[3,4-c]pyrrole")
