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10,26-Dibromo-9,16,25,32-tetramethyl-2,18-dithia[3.1.3.1]metacyclophane
SpectraBase Compound ID 67yz2dG7aQg
InChI InChI=1S/C34H34Br2S2/c1-21-25-9-5-13-29(21)33(35)30-14-6-10-27(22(30)2)19-38-20-28-12-8-16-32(24(28)4)34(36)31-15-7-11-26(23(31)3)18-37-17-25/h5-16,33-34H,17-20H2,1-4H3
InChIKey OATMFXJIMZFRFP-UHFFFAOYSA-N
Mol Weight 666.6 g/mol
Molecular Formula C34H34Br2S2
Exact Mass 664.046869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CfmMHfFVRi
Name 10,26-Dibromo-9,16,25,32-tetramethyl-2,18-dithia[3.1.3.1]metacyclophane
CAS Registry Number 90369-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H34Br2S2
InChI InChI=1S/C34H34Br2S2/c1-21-25-9-5-13-29(21)33(35)30-14-6-10-27(22(30)2)19-38-20-28-12-8-16-32(24(28)4)34(36)31-15-7-11-26(23(31)3)18-37-17-25/h5-16,33-34H,17-20H2,1-4H3
InChIKey OATMFXJIMZFRFP-UHFFFAOYSA-N
Molecular Weight 666.574 g/mol
SMILES C1(c2c(c(CSCc3c(c(C(c4c(c(CSCc5c(c1ccc5)C)ccc4)C)Br)ccc3)C)ccc2)C)Br
SPLASH splash10-001i-0009000000-dd0e2b16d574d6619bf9
Source of Spectrum J-49-2540-0
Synonyms 2,16-dibromo-29,30,31,32-tetramethyl-9,23-dithiapentacyclo[23.3.1.1(3,7).1(11,15).1(17,21)]dotriaconta-1(29),3(32),4,6,11(31),12,14,17(30),18,20,25,27-dodecaene
Wiley ID 1413695