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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 mIRpcUtQdE
Name N,N-phthaloyl-2-thia-10,11-diaza-9,17-dimethyl-(3.2)-metacyclophan
Alternate Name(s) 24,25-dimethyl-18-thia-2,11-diazapentacyclo[18.3.1.1(12,16).0(2,11).0(4,9)]pentacosa-1(24),4,6,8,12(25),13,15,20,22-nonaene-3,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 400.496 g/mol
SMILES c1ccc2c(c1)C(N1N(C2=O)c2cccc(c2C)CSCc2c(c1ccc2)C)=O
SPLASH splash10-0uml-9751100000-da429d0636a79243260d
Wiley ID 1476443