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N,N-Dimethylmalonyl-2,13-dithia-21,22-diaza[14.2]paracyclophan
SpectraBase Compound ID IRGUXGjkUXV
InChI InChI=1S/C29H38N2O2S2/c1-29(2)27(32)30-25-15-11-23(12-16-25)21-34-19-9-7-5-3-4-6-8-10-20-35-22-24-13-17-26(18-14-24)31(30)28(29)33/h11-18H,3-10,19-22H2,1-2H3
InChIKey DUFDXUHMBKUHCM-UHFFFAOYSA-N
Mol Weight 510.8 g/mol
Molecular Formula C29H38N2O2S2
Exact Mass 510.237471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 828cNmNAabx
Name N,N-DIMETHYLMALONYL-2,12-DITHIA-20,21-DIAZA[14.2]PARACYCLOPHANE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H38N2O2S2
InChI InChI=1S/C29H38N2O2S2/c1-29(2)27(32)30-25-15-11-23(12-16-25)21-34-19-9-7-5-3-4-6-8-10-20-35-22-24-13-17-26(18-14-24)31(30)28(29)33/h11-18H,3-10,19-22H2,1-2H3
InChIKey DUFDXUHMBKUHCM-UHFFFAOYSA-N
Molecular Weight 510.2366
SMILES c12N3C(C(C(N3c3ccc(CSCCCCCCCCCCSCc(cc2)cc1)cc3)=O)(C)C)=O
SPLASH splash10-03di-2912060000-2bdf63e8b2dd79fb0510
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany