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exo-4-phenyl-endo-6-(phenylthio)bicyclo[3.1.1]hept-2-en
SpectraBase Compound ID LY6qD2kdFq5
InChI InChI=1S/C19H18S/c1-3-7-14(8-4-1)17-12-11-15-13-18(17)19(15)20-16-9-5-2-6-10-16/h1-12,15,17-19H,13H2
InChIKey HIFJIQPQWMBFHU-UHFFFAOYSA-N
Mol Weight 278.41 g/mol
Molecular Formula C19H18S
Exact Mass 278.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AambuzDyns1
Name exo-4-phenyl-endo-6-(phenylthio)bicyclo[3.1.1]hept-2-en
CAS Registry Number 102870-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18S
InChI InChI=1S/C19H18S/c1-3-7-14(8-4-1)17-12-11-15-13-18(17)19(15)20-16-9-5-2-6-10-16/h1-12,15,17-19H,13H2
InChIKey HIFJIQPQWMBFHU-UHFFFAOYSA-N
Molecular Weight 278.413 g/mol
SMILES C12C(Sc3ccccc3)C(C1)C=CC2c1ccccc1
SPLASH splash10-01ox-9070000000-af807969babfb5c3c8bf
Source of Spectrum K-119-3040-6
Synonyms 4-Phenyl-6-(phenylsulfanyl)bicyclo[3.1.1]hept-2-ene phenyl 4-phenylbicyclo[3.1.1]hept-2-en-6-yl sulfide
Wiley ID 1282542