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2-[bis(methylsulfanyl)methyl]-5-tert-butoxy-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene
SpectraBase Compound ID Bs2jRSRkLRP
InChI InChI=1S/C18H24OS2/c1-18(2,3)19-16-11-10-15(17(20-4)21-5)13-8-6-7-9-14(16)12-13/h6-11,17H,12H2,1-5H3
InChIKey WHJVWKYOYZGMDA-UHFFFAOYSA-N
Mol Weight 320.51 g/mol
Molecular Formula C18H24OS2
Exact Mass 320.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bit7pJjBpkZ
Name 2-[bis(methylsulfanyl)methyl]-5-tert-butoxy-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene
Alternate Name(s) 2-[bis(methylsulfanyl)methyl]-5-[(2-methylpropan-2-yl)oxy]bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene 2-[bis(methylthio)methyl]-5-tert-butoxy-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene 2-[bis(methylthio)methyl]-5-[(2-methylpropan-2-yl)oxy]bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene
CAS Registry Number 104432-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24OS2
InChI InChI=1S/C18H24OS2/c1-18(2,3)19-16-11-10-15(17(20-4)21-5)13-8-6-7-9-14(16)12-13/h6-11,17H,12H2,1-5H3
InChIKey WHJVWKYOYZGMDA-UHFFFAOYSA-N
Molecular Weight 320.509 g/mol
SMILES C=1(C=2CC(=CC=CC2)C(=CC1)OC(C)(C)C)C(SC)SC
SPLASH splash10-01bi-0940000000-fdcd5df01544a2ad76e3
Source of Spectrum H-68-2082-7
Wiley ID 1320110