| SpectraBase Spectrum ID |
Lq5cR5TjKLp |
| Name |
(4RS,5RS)-and-(4RS,5SR)-1-Amino-5,7-dimethyl-5-(phenylthio)octan-4-ol |
| Comments |
Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821080 |
| 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 |
splash10-000i-9200000000-8767f97bfb1460b518ba |
| Source of Spectrum |
KC-1993-1654-62 |
| Synonyms |
1-amino-5,7-dimethyl-5-(phenylsulfanyl)-4-octanol |
| Wiley ID |
778290 |
