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5,9:12,16-Dimethenobenzocyclotetradecene, 10,11-dihydro-17,18-dimethyl-10-[(1-methylethyl)sulfonyl]-
SpectraBase Compound ID 7GDTr0Sslxt
InChI InChI=1S/C25H26O2S/c1-16(2)28(26,27)25-15-19-9-7-12-20(17(19)3)23-10-5-6-11-24(23)21-13-8-14-22(25)18(21)4/h5-14,16,25H,15H2,1-4H3
InChIKey AGMMMVBZFGBPPS-UHFFFAOYSA-N
Mol Weight 390.54 g/mol
Molecular Formula C25H26O2S
Exact Mass 390.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Bi56JidCk3
Name 5,9:12,16-Dimethenobenzocyclotetradecene, 10,11-dihydro-17,18-dimethyl-10-[(1-methylethyl)sulfonyl]-
Alternate Name(s) Ethylsulfoxydimethylcyclophanene Isopropylsulfoxydimethylcyclophanene
CAS Registry Number 80665-17-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O2S
InChI InChI=1S/C25H26O2S/c1-16(2)28(26,27)25-15-19-9-7-12-20(17(19)3)23-10-5-6-11-24(23)21-13-8-14-22(25)18(21)4/h5-14,16,25H,15H2,1-4H3
InChIKey AGMMMVBZFGBPPS-UHFFFAOYSA-N
Molecular Weight 390.541 g/mol
SMILES C1(S(=O)(=O)C(C)C)c2c(c(-c3ccccc3-c3c(c(C1)ccc3)C)ccc2)C
SPLASH splash10-0uyi-0090000000-567141aa26a04af8e874
Source of Spectrum C-104-2559-0
Wiley ID 1365108