| SpectraBase Spectrum ID |
1DpdU4PCqDo |
| Name |
Brassitin |
| Alternate Name(s) |
N-(1H-indol-3-ylmethyl)carbamothioic acid S-methyl ester
S-methyl N-(1H-indol-3-ylmethyl)carbamothioate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12N2OS |
| InChI |
InChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14) |
| InChIKey |
GHGDPZHQDKPWOJ-UHFFFAOYSA-N |
| Molecular Weight |
220.290 g/mol |
| SMILES |
[nH]1c2c(c(CNC(=O)SC)c1)cccc2 |
| SPLASH |
splash10-001i-0940000000-73f4ce7db7058d0449ab |
| Source of Spectrum |
AF-49-689-21 |
| Wiley ID |
1694245 |
