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Tricyclo[4.1.0.02,7]hept-3-ene, 5-(phenylthio)-
SpectraBase Compound ID Hr1Vn7bk8qO
InChI InChI=1S/C13H12S/c1-2-4-8(5-3-1)14-10-7-6-9-11-12(9)13(10)11/h1-7,9-13H
InChIKey NVYXIYFHUYFCIP-UHFFFAOYSA-N
Mol Weight 200.3 g/mol
Molecular Formula C13H12S
Exact Mass 200.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzKKPisGVDA
Name Tricyclo[4.1.0.02,7]hept-3-ene, 5-(phenylthio)-
Alternate Name(s) 5-(phenylsulfanyl)tricyclo[4.1.0.0(2,7)]hept-3-ene 5-(phenylthio)tricyclo[4.1.0.0(2,7)]hept-3-en phenyl tricyclo[4.1.0.0(2,7)]hept-4-en-3-yl sulfide
CAS Registry Number 107729-04-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12S
InChI InChI=1S/C13H12S/c1-2-4-8(5-3-1)14-10-7-6-9-11-12(9)13(10)11/h1-7,9-13H
InChIKey NVYXIYFHUYFCIP-UHFFFAOYSA-N
Molecular Weight 200.299 g/mol
SMILES C12C3C2C(C=CC13)Sc1ccccc1
SPLASH splash10-0006-9000000000-96d70d000557dc856161
Source of Spectrum K-119-154-19
Wiley ID 1198207