| SpectraBase Spectrum ID |
96TiyzMwEYd |
| Name |
(S)-1-(benzo[b]thiophen-5-yl)-3-ethyl-2-methylpentan-3-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.139136501 u |
| Formula |
C16H22OS |
| InChI |
InChI=1S/C16H22OS/c1-4-16(17,5-2)12(3)10-13-6-7-15-14(11-13)8-9-18-15/h6-9,11-12,17H,4-5,10H2,1-3H3/t12-/m0/s1 |
| InChIKey |
HWVSXKPGQPCRED-LBPRGKRZSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
262.411 g/mol |
| Optical Rotation |
[a]D20 = +43.4 (c = 0.78, CHCl3) |
| Quality |
53 |
| Reported Formula |
C16H22OS |
| SMILES |
OC([C@](CC1=CC2=C(C=C1)SC=C2)(C)[H])(CC)CC |
| SPLASH |
splash10-0002-0930000000-800415a1e5bdc4211120 |
| Sample Comments |
96% ee |
| Source of Spectrum |
ACI-62-SM58-(S)-4g (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908239 |
![(S)-1-(benzo[b]thiophen-5-yl)-3-ethyl-2-methylpentan-3-ol](/api/spectrum/96TiyzMwEYd/structure.png?h=300&w=458 "(S)-1-(benzo[b]thiophen-5-yl)-3-ethyl-2-methylpentan-3-ol")
