| SpectraBase Spectrum ID |
AmZBIZApQIU |
| Name |
(-)-(S)-3-Phenyl-3-(thien-2-yl)propan-1-ol |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.076536244 u |
| Formula |
C13H14OS |
| InChI |
InChI=1S/C13H14OS/c14-9-8-12(13-7-4-10-15-13)11-5-2-1-3-6-11/h1-7,10,12,14H,8-9H2/t12-/m0/s1 |
| InChIKey |
ODNPQVHBUZLLQH-LBPRGKRZSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302438k |
| Molecular Weight |
218.314 g/mol |
| Optical Rotation |
[a]D20 = +6.5 (c = 1.00, CH2Cl2) |
| Quality |
209 |
| Reported Formula |
C13H14OS |
| SMILES |
OCC[C@@](C1=CC=CC=C1)(C1=CC=CS1)[H] |
| SPLASH |
splash10-00y0-0920000000-8a294c651f6eef01432f |
| Sample Comments |
er = 97:3 |
| Source of Spectrum |
JOC-78-622-10d (DOI: 10.1021/jo302438k) |
| Wiley ID |
1911669 |
