| SpectraBase Spectrum ID |
BgQ9MHhhb3a |
| Name |
2H-Indol-2-one, 1,3-dihydro-7-hydroxy-5-methoxy-3-(methoxymethyl)-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(18-3)5-8-10(11(7)15)14-12(16)13(8,19-4)6-17-2/h5,15H,6H2,1-4H3,(H,14,16) |
| InChIKey |
BLOJIPKLDVXFTN-UHFFFAOYSA-N |
| SMILES |
C1=2C(C(=O)NC2C(O)=C(C(=C1)OC)C)(SC)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863464 |
