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N,N'-succinyl-2,11-dithia-19,20-diaza-[3.3.2[(1,4)(1,4)(1,4)cyclophane
SpectraBase Compound ID 7eHhwMKIxYK
InChI InChI=1S/C26H24N2O2S2/c29-25-13-14-26(30)28-24-11-7-22(8-12-24)18-32-16-20-2-1-19(3-4-20)15-31-17-21-5-9-23(10-6-21)27(25)28/h1-12H,13-18H2
InChIKey ZFTKFELODQZNPZ-UHFFFAOYSA-N
Mol Weight 460.61 g/mol
Molecular Formula C26H24N2O2S2
Exact Mass 460.12792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mfB0qSbk9W
Name N,N'-succinyl-2,11-dithia-19,20-diaza-[3.3.2[(1,4)(1,4)(1,4)cyclophane
CAS Registry Number 125686-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N2O2S2
InChI InChI=1S/C26H24N2O2S2/c29-25-13-14-26(30)28-24-11-7-22(8-12-24)18-32-16-20-2-1-19(3-4-20)15-31-17-21-5-9-23(10-6-21)27(25)28/h1-12H,13-18H2
InChIKey ZFTKFELODQZNPZ-UHFFFAOYSA-N
Molecular Weight 460.610 g/mol
SMILES C1(N2N(C(CC1)=O)c1ccc(CSCc3ccc(CSCc4ccc2cc4)cc3)cc1)=O
SPLASH splash10-08g0-0900600000-912279d6239f66a128c7
Source of Spectrum K-123-1400-6
Synonyms 13,20-dithia-2,7-diazapentacyclo[20.2.2.2(8,11).2(15,18).0(2,7)]triaconta-1(24),8,10,15,17,22,25,27,29-nonaene-3,6-dione
Wiley ID 1390505