1-(Phenylthio)bicyclo[1.1.1]pentane
Compound with spectra: 3 NMR, and 1 MS (GC)
![1-(Phenylthio)bicyclo[1.1.1]pentane](/api/compound/85x1ilOiOFZ.png?ph=true&h=300&w=458 "1-(Phenylthio)bicyclo[1.1.1]pentane")
| SpectraBase Compound ID | 85x1ilOiOFZ |
|---|---|
| InChI | InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2 |
| InChIKey | AXGWEHWIGICNLX-UHFFFAOYSA-N |
| Mol Weight | 176.28 g/mol |
| Molecular Formula | C11H12S |
| Exact Mass | 176.065972 g/mol |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | QE-24-1377-7a (DOI: 10.1002/chem.201704105) |
- 1-Thiophenyl-(1.1.1)propellane
1-(Phenylthio)cyclopropanol
2-Hexyl phenyl sulfide
Phenylcyclopentylsulfide
1-Propanol, 2-methyl-2-(phenylthio)-
(2-Methylbut-3-en-2-yl)(phenyl)sulfane
DBOXSQUBSAIJAG-UHFFFAOYSA-N
1-Butanol, 2-(phenylthio)-
CIS-1-PHENYLTHIO-2-METHYLCYCLOPROPANE
(1,2,2-Trimethylpropylthio)benzene
2-(Phenylthio)butyraldehyde
| Title | Journal or Book | Year |
|---|---|---|
| Influence ofσ-hyperconjugative interactions on13C substituent chemical shifts: experimental and theoretical study in 1-X,3-CH3-bicyclo[1.1.1]pentanes | Magnetic Resonance in Chemistry | 2004 |
| A DFT/GIAO/NBO and experimental study of13C SCSs in 1-X-bicyclo[1.1.1]pentanes | Magnetic Resonance in Chemistry | 2000 |
This compound is available in the following databases:
KnowItAll GC-MS Library
Author: Wiley
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