| SpectraBase Spectrum ID |
BMUNWHK0weH |
| Name |
(3R,4R)-3-(chloromethyl)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline |
| Alternate Name(s) |
(3R,4R)-3-(chloromethyl)-2-methyl-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20ClNS |
| InChI |
InChI=1S/C18H20ClNS/c1-20-12-14-5-3-4-6-16(14)18(17(20)11-19)13-7-9-15(21-2)10-8-13/h3-10,17-18H,11-12H2,1-2H3/t17-,18+/m0/s1 |
| InChIKey |
ZTSICCBMBFWMRI-ZWKOTPCHSA-N |
| Molecular Weight |
317.878 g/mol |
| SMILES |
[C@@]1(N(Cc2c([C@]1(c1ccc(cc1)SC)[H])cccc2)C)(CCl)[H] |
| SPLASH |
splash10-016r-0590000000-c2477169864fdb038ce6 |
| Source of Spectrum |
KD-15-2503-13 |
| Wiley ID |
1637151 |
