![Carbamothioic acid, [(1-methoxy-1H-indol-3-yl)methyl]-, S-methyl ester](/api/spectrum/FuglHXMlMR6/structure.png?h=300&w=458 "Carbamothioic acid, [(1-methoxy-1H-indol-3-yl)methyl]-, S-methyl ester")
| SpectraBase Compound ID | 727NwksaxeC |
|---|---|
| InChI | InChI=1S/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15) |
| InChIKey | BHXCFNZULGNWRA-UHFFFAOYSA-N |
| Mol Weight | 250.32 g/mol |
| Molecular Formula | C12H14N2O2S |
| Exact Mass | 250.077599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FuglHXMlMR6 |
|---|---|
| Name | Carbamothioic acid, [(1-methoxy-1H-indol-3-yl)methyl]-, S-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.077598871 u |
| Formula | C12H14N2O2S |
| InChI | InChI=1S/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15) |
| InChIKey | BHXCFNZULGNWRA-UHFFFAOYSA-N |
| Molecular Weight | 250.316 g/mol |
| SMILES | C=1N(C2=C(C1CNC(=O)SC)C=CC=C2)OC |