| SpectraBase Spectrum ID |
4BJQqm5Rjud |
| Name |
syn,anti-2-(.alpha.-Dimethylamino-2-chlorobenzyl)-1-mesityloxycyclohexane |
| Comments |
Note: The molecular formula of the structure shown is C24H32ClNO - which differs from the formula reported for the mass spectrum (C18H28ClNO3S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H28ClNO3S |
| InChI |
InChI=1S/C24H32ClNO/c1-16-14-17(2)24(18(3)15-16)27-22-13-9-7-11-20(22)23(26(4)5)19-10-6-8-12-21(19)25/h6,8,10,12,14-15,20,22-23H,7,9,11,13H2,1-5H3 |
| InChIKey |
BINKYGPUMIMSTL-UHFFFAOYSA-N |
| Molecular Weight |
385.979 g/mol |
| SMILES |
C1(C(CCCC1)C(c1c(cccc1)Cl)N(C)C)Oc1c(C)cc(C)cc1C |
| SPLASH |
splash10-014i-0900000000-5485759ab3b3dd78730b |
| Source of Spectrum |
SO-0-1370-8 |
| Synonyms |
anti,anti-2-(.alpha.-Dimethylamino-2-chlorobenzyl)-1-mesityloxycyclohexane |
| Wiley ID |
865011 |
