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5,9:12,16-Dimethenobenzocyclotetradecene, 10,11-dihydro-17,18-dimethyl-10-(methylsulfonyl)-, stereoisomer
SpectraBase Compound ID 8zKy4yKWtm5
InChI InChI=1S/C23H22O2S/c1-15-17-8-6-11-18(15)21-9-4-5-10-22(21)19-12-7-13-20(16(19)2)23(14-17)26(3,24)25/h4-13,23H,14H2,1-3H3
InChIKey PDRBAFYJSXKUOU-UHFFFAOYSA-N
Mol Weight 362.49 g/mol
Molecular Formula C23H22O2S
Exact Mass 362.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bo8cKcYwSC
Name 5,9:12,16-Dimethenobenzocyclotetradecene, 10,11-dihydro-17,18-dimethyl-10-(methylsulfonyl)-, stereoisomer
Alternate Name(s) 19,20-dimethyl-13-(methylsulfonyl)tetracyclo[13.3.1.1(8,12).0(2,7)]icosa-1(19),2,4,6,8(20),9,11,15,17-nonaene 19,20-dimethyltetracyclo[13.3.1.1(8,12).0(2,7)]icosa-1(19),2,4,6,8(20),9,11,15,17-nonaen-13-yl methyl sulfone Methylsulfoxydimethylcyclophanene
CAS Registry Number 80734-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O2S
InChI InChI=1S/C23H22O2S/c1-15-17-8-6-11-18(15)21-9-4-5-10-22(21)19-12-7-13-20(16(19)2)23(14-17)26(3,24)25/h4-13,23H,14H2,1-3H3
InChIKey PDRBAFYJSXKUOU-UHFFFAOYSA-N
Molecular Weight 362.487 g/mol
SMILES C1(S(=O)(=O)C)c2c(c(-c3ccccc3-c3c(c(C1)ccc3)C)ccc2)C
SPLASH splash10-0uxr-0091000000-d3f169a4ef66cf0bcef4
Source of Spectrum C-104-2558-0
Wiley ID 1349916