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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oFcEOBcO1D
Name 1-(Phenylthio)bicyclo[1.1.1]pentane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.065971560 u
Formula C11H12S
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
Instrument Name Finnigan-MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201704105
Molecular Weight 176.277 g/mol
Quality 303
Reported Formula C11H12(32)S
SMILES C1(=CC=CC=C1)SC12CC(C2)C1
SPLASH splash10-05r3-9300000000-819ff273ee6c25110070
Source of Spectrum QE-24-1377-7a (DOI: 10.1002/chem.201704105)
Wiley ID 1900330