| SpectraBase Spectrum ID |
EK8OtGPZdww |
| Name |
(S)-5-(2-(butylthio)propyl)benzo[b]thiophene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.100642992 u |
| Formula |
C15H20S2 |
| InChI |
InChI=1S/C15H20S2/c1-3-4-8-16-12(2)10-13-5-6-15-14(11-13)7-9-17-15/h5-7,9,11-12H,3-4,8,10H2,1-2H3/t12-/m0/s1 |
| InChIKey |
GXPUDIHCVLFHLC-LBPRGKRZSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
264.445 g/mol |
| Optical Rotation |
[a]D20 = +6.8 (c = 1.99, CHCl3) |
| Quality |
43 |
| Reported Formula |
C15H20S2 |
| SMILES |
C1=C(C=CC=2SC=CC12)C[C@@](SCCCC)(C)[H] |
| SPLASH |
splash10-00or-8900000000-f9adda5666bb85f67d54 |
| Sample Comments |
93% ee |
| Source of Spectrum |
ACI-62-SM60-(S)-4i (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908241 |
![(S)-5-(2-(butylthio)propyl)benzo[b]thiophene](/api/spectrum/EK8OtGPZdww/structure.png?h=300&w=458 "(S)-5-(2-(butylthio)propyl)benzo[b]thiophene")
