| SpectraBase Spectrum ID |
39B3tR9RDDN |
| Name |
(-)-(R)-3-(Thien-2-yl)pentan-1-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.076536244 u |
| Formula |
C9H14OS |
| InChI |
InChI=1S/C9H14OS/c1-2-8(5-6-10)9-4-3-7-11-9/h3-4,7-8,10H,2,5-6H2,1H3/t8-/m1/s1 |
| InChIKey |
MVIICRTTYCQKHQ-MRVPVSSYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302438k |
| Molecular Weight |
170.270 g/mol |
| Optical Rotation |
[a]D20 = -14.5 (c = 1.00, CH2Cl2) |
| Quality |
196 |
| Reported Formula |
C9H14OS |
| SMILES |
OCC[C@@](CC)(C1=CC=CS1)[H] |
| SPLASH |
splash10-0h6s-2900000000-3b508006f9ed4db9cc93 |
| Sample Comments |
er = 97:3 |
| Source of Spectrum |
JOC-78-622-10b (DOI: 10.1021/jo302438k) |
| Wiley ID |
1911667 |
