| SpectraBase Spectrum ID |
AuYWyN6y5aY |
| Name |
(4RS,5RS)-and-(4RS,5SR)-1-Amino-5,7-dimethyl-5-(phenylthio)octan-4-ol |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 778290 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H27NOS |
| InChI |
InChI=1S/C16H27NOS/c1-13(2)12-16(3,15(18)10-7-11-17)19-14-8-5-4-6-9-14/h4-6,8-9,13,15,18H,7,10-12,17H2,1-3H3 |
| InChIKey |
MTIJBOJFNBFUGA-UHFFFAOYSA-N |
| Molecular Weight |
281.458 g/mol |
| SMILES |
OC(CCCN)C(Sc1ccccc1)(CC(C)C)C |
| SPLASH |
splash10-000l-0900000000-592807f454ce5e9ea5dd |
| Source of Spectrum |
KC-1993-1654-62 |
| Synonyms |
1-Amino-5,7-dimethyl-5-(phenylsulfanyl)-4-octanol |
| Wiley ID |
1821080 |
