| SpectraBase Spectrum ID |
2lt87y5TgPc |
| Name |
(S)-2-(benzo[b]thiophen-5-ylmethyl)-1,1-dicyclopropylhexan-1-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.186086695 u |
| Formula |
C21H28OS |
| InChI |
InChI=1S/C21H28OS/c1-2-3-4-19(21(22,17-6-7-17)18-8-9-18)14-15-5-10-20-16(13-15)11-12-23-20/h5,10-13,17-19,22H,2-4,6-9,14H2,1H3/t19-/m0/s1 |
| InChIKey |
UEIQUTBXUSZKRV-IBGZPJMESA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Optical Rotation |
[a]D20 = -6.9 (c = 0.72, CHCl3) |
| Quality |
60 |
| Reported Formula |
C21H28OS |
| SMILES |
OC([C@](CC1=CC2=C(C=C1)SC=C2)(CCCC)[H])(C1CC1)C1CC1 |
| SPLASH |
splash10-0002-1900000000-c9966466159961e060f8 |
| Sample Comments |
92% ee |
| Source of Spectrum |
ACI-62-SM81-(S)-4x (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908251 |
![(S)-2-(benzo[b]thiophen-5-ylmethyl)-1,1-dicyclopropylhexan-1-ol](/api/spectrum/2lt87y5TgPc/structure.png?h=300&w=458 "(S)-2-(benzo[b]thiophen-5-ylmethyl)-1,1-dicyclopropylhexan-1-ol")
