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9,16,25,32-Tetramethyl-10-oxo-2,18-dithia[3.1.3.1]metacyclophane
SpectraBase Compound ID J9xdrIkcrl
InChI InChI=1S/C34H34OS2/c1-22-15-26-11-13-28(22)18-36-20-30-7-5-9-32(24(30)3)34(35)33-10-6-8-31(25(33)4)21-37-19-29-14-12-27(17-26)16-23(29)2/h5-16H,17-21H2,1-4H3
InChIKey VVIFNKBDHOHHNX-UHFFFAOYSA-N
Mol Weight 522.8 g/mol
Molecular Formula C34H34OS2
Exact Mass 522.205108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ha74Fj6mjV8
Name 9,16,25,32-Tetramethyl-10-oxo-2,18-dithia[3.1.3.1]metacyclophane
CAS Registry Number 90369-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H34OS2
InChI InChI=1S/C34H34OS2/c1-22-15-26-11-13-28(22)18-36-20-30-7-5-9-32(24(30)3)34(35)33-10-6-8-31(25(33)4)21-37-19-29-14-12-27(17-26)16-23(29)2/h5-16H,17-21H2,1-4H3
InChIKey VVIFNKBDHOHHNX-UHFFFAOYSA-N
Molecular Weight 522.765 g/mol
SMILES C1(c2c(c(CSCc3c(cc(cc3)Cc3ccc(c(c3)C)CSCc3c(c1ccc3)C)C)ccc2)C)=O
SPLASH splash10-00di-0020490000-63dd3d3ad80e9ee8598f
Source of Spectrum J-49-2539-0
Synonyms 5,25,31,32-tetramethyl-8,22-dithiapentacyclo[22.2.2.2(3,6).1(10,14).1(16,20)]dotriaconta-1(26),3,5,10(32),11,13,16(31),17,19,24,27,29-dodecaen-15-one
Wiley ID 1402321