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Cyclohept[fg]acenaphthylen-5(1H)-one, 2,6,7,8-tetrahydro-6,6-bis(methylthio)-
SpectraBase Compound ID 4Xx5Ce61ZSL
InChI InChI=1S/C18H18OS2/c1-20-18(21-2)14-6-4-3-5-11-7-8-12-9-10-13(17(18)19)15(12)16(11)14/h3,5,7-8H,4,6,9-10H2,1-2H3
InChIKey UIINPHJLMWCWBI-UHFFFAOYSA-N
Mol Weight 314.46 g/mol
Molecular Formula C18H18OS2
Exact Mass 314.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8U4uwwLYMQ7
Name Cyclohept[fg]acenaphthylen-5(1H)-one, 2,6,7,8-tetrahydro-6,6-bis(methylthio)-
CAS Registry Number 85960-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18OS2
InChI InChI=1S/C18H18OS2/c1-20-18(21-2)14-6-4-3-5-11-7-8-12-9-10-13(17(18)19)15(12)16(11)14/h3,5,7-8H,4,6,9-10H2,1-2H3
InChIKey UIINPHJLMWCWBI-UHFFFAOYSA-N
Molecular Weight 314.461 g/mol
SMILES C1=2C3=C4CCC=CC3=CC=C1CCC2C(C4(SC)SC)=O
SPLASH splash10-000i-0092000000-ea435899e117ef295e02
Source of Spectrum KC-1985-792-19
Synonyms 4,4-bis(methylsulfanyl)-2,4,5,6-tetrahydrocyclohepta[fg]acenaphthylen-3(1H)-one 6,6-bis(methylthio)-7,8-dihydrocyclohept[fg]acenaphthen-5(6H)-one
Wiley ID 1315061