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N,N-phthaloyl-2-thia-10,11-diaza-9,17-dimethyl-(3.2)-metacyclophan
SpectraBase Compound ID 6daNW2Or5jl
InChI InChI=1S/C24H20N2O2S/c1-15-17-7-5-11-21(15)25-23(27)19-9-3-4-10-20(19)24(28)26(25)22-12-6-8-18(16(22)2)14-29-13-17/h3-12H,13-14H2,1-2H3
InChIKey CEOJSNXUCMXBQJ-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H20N2O2S
Exact Mass 400.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I15KEhyXm9E
Name N,N-PHTHALOYL-2-THIA-10,11-DIAZA-9,17-DIMETHYL-(3.2)-METACYCLOPHANE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H20N2O2S
InChI InChI=1S/C24H20N2O2S/c1-15-17-7-5-11-21(15)25-23(27)19-9-3-4-10-20(19)24(28)26(25)22-12-6-8-18(16(22)2)14-29-13-17/h3-12H,13-14H2,1-2H3
InChIKey CEOJSNXUCMXBQJ-UHFFFAOYSA-N
Instrument Name MAT 311
Molecular Weight 400.1241
SMILES c1cc2C(=O)N3c4cccc(CSCc5c(C)c(ccc5)N3C(=O)c2cc1)c4C
SPLASH splash10-0uml-9751100000-77b64997f113cba8b1b8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany