| SpectraBase Spectrum ID |
GUVv039zIZ6 |
| Name |
(3S,4S)-3-(Benzylamino)-1-(methylthio)-4,7-heptandiol |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H25NO2S |
| InChI |
InChI=1S/C15H25NO2S/c1-19-11-9-14(15(18)8-5-10-17)16-12-13-6-3-2-4-7-13/h2-4,6-7,14-18H,5,8-12H2,1H3/t14-,15-/m0/s1 |
| InChIKey |
KDPXFLKUUHKQQA-GJZGRUSLSA-N |
| Instrument Name |
Waters Micromass LCT Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.10.35 |
| Molecular Weight |
283.430 g/mol |
| Optical Rotation |
[a]D = -0.4 (c = 2.21, CHCl3) |
| Reported Formula |
C15H25NO2S |
| SMILES |
OCCC[C@@]([C@@](NCc1ccccc1)(CCSC)[H])(O)[H] |
| SPLASH |
splash10-0006-9700000000-92d6aca8d38481abf05f |
| Sample Comments |
dr > 19:1 |
| Source of Spectrum |
BJO-10-SM39-syn-9d |
| Wiley ID |
1854097 |
