| SpectraBase Spectrum ID |
tu2z0tJneP |
| Name |
Methyl (5R*,6R*)-2-dimethylamino-5-(4-methylphenyl)-4,5,6,7-tetrahydrobenzothiazole-6-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.140199128 u |
| Formula |
C18H22N2O2S |
| InChI |
InChI=1S/C18H22N2O2S/c1-11-5-7-12(8-6-11)13-9-15-16(10-14(13)17(21)22-4)23-18(19-15)20(2)3/h5-8,13-14H,9-10H2,1-4H3/t13-,14+/m0/s1 |
| InChIKey |
XDQZTFKZZXNBHM-UONOGXRCSA-N |
| Molecular Weight |
330.446 g/mol |
| SMILES |
C1(=NC=2C[C@@](C3=CC=C(C=C3)C)([C@@](CC2S1)(C(=O)OC)[H])[H])N(C)C |
