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[Bicyclo[1.1.1]pent-1-yl-3-(2H)](phenyl)sulfane
SpectraBase Compound ID AK0e9q6z2IW
InChI InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2/i9D
InChIKey AXGWEHWIGICNLX-QOWOAITPSA-N
Mol Weight 177.28 g/mol
Molecular Formula C11H11DS
Exact Mass 177.072248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ikPJA30Lt
Name [Bicyclo[1.1.1]pent-1-yl-3-(2H)](phenyl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 177.072248306 u
Formula C11H11DS
InChI InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2/i9D
InChIKey AXGWEHWIGICNLX-QOWOAITPSA-N
Instrument Name Finnigan-MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201704105
Molecular Weight 177.283 g/mol
Quality 127
Reported Formula C11H11(2)H(32)S
SMILES C1(=CC=CC=C1)SC12CC(C2)(C1)[D]
SPLASH splash10-0409-2900000000-5ac12e19861de7716613
Source of Spectrum QE-24-1377-7a(d) (DOI: 10.1002/chem.201704105)
Wiley ID 1900329