| SpectraBase Spectrum ID |
3qYoqv1kOKp |
| Name |
(1S,2S)-2-Dimethylamino-1-(4-methylthiophenyl)-1,3-propanediol |
| Alternate Name(s) |
(1S,2S)-2-(dimethylamino)-1-[4-(methylsulfanyl)phenyl]-1,3-propanediol
(1S,2S)-2-(dimethylamino)-1-(4-methylsulfanylphenyl)propane-1,3-diol |
| Comments |
Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821105 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H19NO2S |
| InChI |
InChI=1S/C12H19NO2S/c1-13(2)11(8-14)12(15)9-4-6-10(16-3)7-5-9/h4-7,11-12,14-15H,8H2,1-3H3/t11-,12-/m0/s1 |
| InChIKey |
ZSSGFNDBYDUHRE-RYUDHWBXSA-N |
| Molecular Weight |
241.349 g/mol |
| SMILES |
O[C@]([C@](CO)(N(C)C)[H])(c1ccc(cc1)SC)[H] |
| SPLASH |
splash10-000i-9100000000-3f9da8a6464ec1b45e74 |
| Source of Spectrum |
QC-17-1751-4 |
| Wiley ID |
1638341 |
