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Tricyclo[3.1.1.0(2,4)]heptane, 6-(phenylthio)-, (1.alpha.,2.beta.,4.beta.,5.alpha.,6.beta.)-
SpectraBase Compound ID FktXfuyplJ0
InChI InChI=1S/C13H14S/c1-2-4-8(5-3-1)14-13-11-7-12(13)10-6-9(10)11/h1-5,9-13H,6-7H2
InChIKey LDVMYJHXORIIDJ-UHFFFAOYSA-N
Mol Weight 202.31 g/mol
Molecular Formula C13H14S
Exact Mass 202.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45T1azBaqW
Name Tricyclo[3.1.1.0(2,4)]heptane, 6-(phenylthio)-, (1.alpha.,2.beta.,4.beta.,5.alpha.,6.beta.)-
CAS Registry Number 70938-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14S
InChI InChI=1S/C13H14S/c1-2-4-8(5-3-1)14-13-11-7-12(13)10-6-9(10)11/h1-5,9-13H,6-7H2
InChIKey LDVMYJHXORIIDJ-UHFFFAOYSA-N
Molecular Weight 202.315 g/mol
SMILES C12C(C3CC2C3Sc2ccccc2)C1
SPLASH splash10-0006-9000000000-339fab0f0d78861dfe22
Source of Spectrum K-112-2019-0
Synonyms 6-(Phenylsulfanyl)tricyclo[3.1.1.0(2,4)]heptane 6-endo-(phenylthio)-exo-tricyclo[3.1.1.0(2,4)]heptane phenyl tricyclo[3.1.1.0(2,4)]hept-6-yl sulfide
Wiley ID 1200140