| SpectraBase Spectrum ID |
8qDrO90M7Md |
| Name |
(+)-(3R,1'S,2'S)-N-(1'-Hydroxy-1'-phenylpropan-2'-yl)-N- methyl-3-(thien-2-yl)hexanamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.176250285 u |
| Formula |
C20H27NO2S |
| InChI |
InChI=1S/C20H27NO2S/c1-4-9-17(18-12-8-13-24-18)14-19(22)21(3)15(2)20(23)16-10-6-5-7-11-16/h5-8,10-13,15,17,20,23H,4,9,14H2,1-3H3/t15-,17+,20+/m0/s1 |
| InChIKey |
WOFBNJVFQJFCRR-XAUMDUMWSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302438k |
| Molecular Weight |
345.501 g/mol |
| Optical Rotation |
[a]D20 = +58.7 (c = 1.00, CH2Cl2) |
| Quality |
34 |
| Reported Formula |
C20H27NO2S |
| SMILES |
O[C@]([C@@](N(C(C[C@@](CCC)(C1=CC=CS1)[H])=O)C)(C)[H])(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-004i-0029000000-bee2d8083395968d3b57 |
| Sample Comments |
dr = 97:3 |
| Source of Spectrum |
JOC-78-621-7c (DOI: 10.1021/jo302438k) |
| Wiley ID |
1911700 |
