| SpectraBase Spectrum ID |
8uYpJaXd0El |
| Name |
2H-Indol-2-one, 1,3-dihydro-5-methoxy-7-(methoxymethoxy)-6-methyl-3-(methylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.087829201 u |
| Formula |
C13H17NO4S |
| InChI |
InChI=1S/C13H17NO4S/c1-7-9(17-3)5-8-10(11(7)18-6-16-2)14-13(15)12(8)19-4/h5,12H,6H2,1-4H3,(H,14,15) |
| InChIKey |
QOZPFQQPDVWOGB-UHFFFAOYSA-N |
| Molecular Weight |
283.342 g/mol |
| SMILES |
C12=C(C(SC)C(N2)=O)C=C(C(=C1OCOC)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948546 |
