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1(2H)-Naphthalenone, 2-[bis(methylthio)methyl]-3,4-dihydro-
SpectraBase Compound ID K0PzpW0viVE
InChI InChI=1S/C13H16OS2/c1-15-13(16-2)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,11,13H,7-8H2,1-2H3
InChIKey YSRHVCPMAAQAEX-UHFFFAOYSA-N
Mol Weight 252.39 g/mol
Molecular Formula C13H16OS2
Exact Mass 252.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6dsMlgWLqW
Name 1(2H)-Naphthalenone, 2-[bis(methylthio)methyl]-3,4-dihydro-
Alternate Name(s) 2-[bis(methylsulfanyl)methyl]-3,4-dihydro-1(2H)-naphthalenone 2-[bis(methylthio)methyl]-1-tetralone
CAS Registry Number 128307-52-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS2
InChI InChI=1S/C13H16OS2/c1-15-13(16-2)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,11,13H,7-8H2,1-2H3
InChIKey YSRHVCPMAAQAEX-UHFFFAOYSA-N
Molecular Weight 252.390 g/mol
SMILES C1(C(CCc2c1cccc2)C(SC)SC)=O
SPLASH splash10-0a4i-0090000000-62a67430ef2ff0e87ba9
Source of Spectrum F-46-2202-5
Wiley ID 1255286