| SpectraBase Spectrum ID |
BuQgyJtK4EE |
| Name |
(+)-(3R,1'S,2'S)-N-(1'-Hydroxy-1'-phenylpropan-2'-yl)-N-methyl-3-(thien-2-yl)pentanamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H25NO2S |
| InChI |
InChI=1S/C19H25NO2S/c1-4-15(17-11-8-12-23-17)13-18(21)20(3)14(2)19(22)16-9-6-5-7-10-16/h5-12,14-15,19,22H,4,13H2,1-3H3/t14-,15+,19+/m0/s1 |
| InChIKey |
UXWRWMLOHZUNPA-QMTMVMCOSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302438k |
| Molecular Weight |
331.474 g/mol |
| Optical Rotation |
[a]D20 = +43.2 (c = 0.98, CH2Cl2) |
| Quality |
35 |
| Reported Formula |
C19H25NO2S |
| SMILES |
O[C@]([C@@](N(C(C[C@@](CC)(C1=CC=CS1)[H])=O)C)(C)[H])(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-03di-0129000000-9441216adea776e2273b |
| Sample Comments |
dr = 97:3 |
| Source of Spectrum |
JOC-78-621-7b (DOI: 10.1021/jo302438k) |
| Wiley ID |
1911699 |
