| SpectraBase Spectrum ID |
KVxqYvw6kac |
| Name |
(3R,4R)-3-Hydroxymethyl-2-methyl-4-(4-methylthiophenyl)-3,4-dihydtoisoquinolinium tetrafluoroborate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20BF4NOS |
| InChI |
InChI=1S/C18H20NOS.BF4/c1-19-11-14-5-3-4-6-16(14)18(17(19)12-20)13-7-9-15(21-2)10-8-13;2-1(3,4)5/h3-11,17-18,20H,12H2,1-2H3;/q+1;-1/t17-,18+;/m0./s1 |
| InChIKey |
PZRKXKNRWQRRCC-CJRXIRLBSA-N |
| Molecular Weight |
385.228 g/mol |
| SMILES |
[B-](F)(F)(F)F.OC[C@@]1([N+](=Cc2ccccc2[C@]1(c1ccc(SC)cc1)[H])C)[H] |
| SPLASH |
splash10-006x-0930000000-5e7fdf16fd1f35874f4f |
| Source of Spectrum |
KD-15-2504-16 |
| Synonyms |
[(3R,4R)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-2-ium-3-yl]methanol;tetrafluoroborate |
| Wiley ID |
1637145 |
