| SpectraBase Spectrum ID |
CNb7nmkiF6Q |
| Name |
2-(but-3-en-2-yl)benzo[b]thiophene |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.065971560 u |
| Formula |
C12H12S |
| GC Column |
Macherey-Nagel Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C12H12S/c1-3-9(2)12-8-10-6-4-5-7-11(10)13-12/h3-9H,1H2,2H3 |
| InChIKey |
LNOSRWCKMFIILA-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5973 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601283 |
| Molecular Weight |
188.288 g/mol |
| Optical Rotation |
[a]D20 = -24.9 (c = 1.0 g/100 ml, CHCl3) |
| Quality |
274 |
| SMILES |
CC(C=C)C1=CC2=C(S1)C=CC=C2 |
| SPLASH |
splash10-00di-0900000000-47cdb6c08b32a3db7b2a |
| Sample Comments |
98% ee |
| Source of Spectrum |
QE-22-SM43-43-1 (DOI: 10.1002/chem.201601283) |
| Thin-Layer Chromatography |
0.8 (CyHex/EtOAc, 10:1) |
| Wiley ID |
1903368 |
![2-(but-3-en-2-yl)benzo[b]thiophene](/api/spectrum/CNb7nmkiF6Q/structure.png?h=300&w=458 "2-(but-3-en-2-yl)benzo[b]thiophene")
