| SpectraBase Spectrum ID |
3dZdVJN3iQg |
| Name |
(+)-(3S,1'S,2'S)-N-(1'-Hydroxy-1'-phenylpropan-2'-yl)-N,4,4-trimethyl-3-phenyl-3-(thien-2-yl)propanamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H25NO2S |
| InChI |
InChI=1S/C23H25NO2S/c1-17(23(26)19-12-7-4-8-13-19)24(2)22(25)16-20(21-14-9-15-27-21)18-10-5-3-6-11-18/h3-15,17,20,23,26H,16H2,1-2H3/t17-,20-,23+/m0/s1 |
| InChIKey |
WVRHGGZPCJTPRM-KPDCDPCYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302438k |
| Molecular Weight |
379.518 g/mol |
| Optical Rotation |
[a]D20 = +50.2 (c = 0.99, CH2Cl2) |
| Quality |
105 |
| Reported Formula |
C23H25NO2S |
| SMILES |
O[C@]([C@@](N(C(C[C@@](C1=CC=CC=C1)(C1=CC=CS1)[H])=O)C)(C)[H])(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-000i-0109000000-126e863f13d19ee7bc99 |
| Sample Comments |
er = 97:3 |
| Source of Spectrum |
JOC-78-621-7d (DOI: 10.1021/jo302438k) |
| Wiley ID |
1911701 |
