| SpectraBase Spectrum ID |
6yetWV9rBBO |
| Name |
2-(Bicyclo[1.1.1]pent-1-ylthio)benzoic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.055800798 u |
| Formula |
C12H12O2S |
| InChI |
InChI=1S/C12H12O2S/c13-11(14)9-3-1-2-4-10(9)15-12-5-8(6-12)7-12/h1-4,8H,5-7H2,(H,13,14) |
| InChIKey |
KVPWYFOLTIKKHS-UHFFFAOYSA-N |
| Instrument Name |
Finnigan-MAT-95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201704105 |
| Molecular Weight |
220.286 g/mol |
| Quality |
164 |
| Reported Formula |
C12H12O2(32)S |
| SMILES |
OC(C1=C(C=CC=C1)SC12CC(C2)C1)=O |
| SPLASH |
splash10-000j-7900000000-14cd56047cb8f189319d |
| Source of Spectrum |
QE-24-1379-7q (DOI: 10.1002/chem.201704105) |
| Thin-Layer Chromatography |
0.22 (cyclohexane/EtOAc/AcOH, 5:1:0.01) |
| Wiley ID |
1900346 |
![2-(Bicyclo[1.1.1]pent-1-ylthio)benzoic acid](/api/spectrum/6yetWV9rBBO/structure.png?h=300&w=458 "2-(Bicyclo[1.1.1]pent-1-ylthio)benzoic acid")
