| SpectraBase Spectrum ID |
E0dsh2zbesK |
| Name |
(+)-(3R,1'S,2'S)-N-(1'-Hydroxy-1'-phenylpropan-2'-yl)-N-methyl-3-(thien-2-yl)butanamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.144950157 u |
| Formula |
C18H23NO2S |
| InChI |
InChI=1S/C18H23NO2S/c1-13(16-10-7-11-22-16)12-17(20)19(3)14(2)18(21)15-8-5-4-6-9-15/h4-11,13-14,18,21H,12H2,1-3H3/t13-,14+,18-/m1/s1 |
| InChIKey |
RJSINWLQUOAJKC-QWQRMKEZSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302438k |
| Optical Rotation |
[a]D20 = +59.6 (c = 0.98, CH2Cl2) |
| Quality |
33 |
| Reported Formula |
C18H23NO2S |
| SMILES |
O[C@]([C@@](N(C(C[C@@](C)(C1=CC=CS1)[H])=O)C)(C)[H])(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-0udi-0129000000-5d4fcfa3b26a9e1b0fcd |
| Sample Comments |
dr = 96:4 |
| Source of Spectrum |
JOC-78-621-7a (DOI: 10.1021/jo302438k) |
| Wiley ID |
1911698 |
