| SpectraBase Spectrum ID |
2b48YfdvEFR |
| Name |
Diethyl 2-hydroxy-2-(1-methyl-4-phenylthio-1H-indol-3-ylmethyl)propanedioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H25NO5S |
| InChI |
InChI=1S/C23H25NO5S/c1-4-28-21(25)23(27,22(26)29-5-2)14-16-15-24(3)18-12-9-13-19(20(16)18)30-17-10-7-6-8-11-17/h6-13,15,27H,4-5,14H2,1-3H3 |
| InChIKey |
ARZCWEGRROIKAT-UHFFFAOYSA-N |
| Molecular Weight |
427.515 g/mol |
| SMILES |
OC(C(=O)OCC)(C(=O)OCC)Cc1c[n](c2c1c(ccc2)Sc1ccccc1)C |
| SPLASH |
splash10-0a4i-0090000000-68bbd93304d9e8a11f32 |
| Source of Spectrum |
QE-8-2043-10 |
| Synonyms |
diethyl 2-hydroxy-2-{[1-methyl-4-(phenylsulfanyl)-1H-indol-3-yl]methyl}malonate |
| Wiley ID |
1557633 |
