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13,27-Dichloro-29,30-dihydroxy-3,9,17,23-tetraaza-6,20-dithiatricyclo(23,1,1(11,15))tricont-1(29)2,9,11(30)12,14,16,23,25,27-decane

View entire compound with spectra: 1 MS (GC)

13,27-Dichloro-29,30-dihydroxy-3,9,17,23-tetraaza-6,20-dithiatricyclo(23,1,1(11,15))tricont-1(29)2,9,11(30)12,14,16,23,25,27-decane
SpectraBase Compound ID 2BVPIvUq8JK
InChI InChI=1S/C24H26Cl2N4O2S2/c25-21-9-17-13-27-1-5-33-6-2-28-15-19-11-22(26)12-20(24(19)32)16-30-4-8-34-7-3-29-14-18(10-21)23(17)31/h9-16,31-32H,1-8H2/b27-13-,28-15+,29-14+,30-16+
InChIKey SBESAHXRBKUREU-TXFNGILASA-N
Mol Weight 537.52 g/mol
Molecular Formula C24H26Cl2N4O2S2
Exact Mass 536.087424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RnAc0AGF3v
Name 13,27-Dichloro-29,30-dihydroxy-3,9,17,23-tetraaza-6,20-dithiatricyclo(23,1,1(11,15))tricont-1(29)2,9,11(30)12,14,16,23,25,27-decane
CAS Registry Number 100216-58-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26Cl2N4O2S2
InChI InChI=1S/C24H26Cl2N4O2S2/c25-21-9-17-13-27-1-5-33-6-2-28-15-19-11-22(26)12-20(24(19)32)16-30-4-8-34-7-3-29-14-18(10-21)23(17)31/h9-16,31-32H,1-8H2/b27-13-,28-15+,29-14+,30-16+
InChIKey SBESAHXRBKUREU-TXFNGILASA-N
Molecular Weight 537.524 g/mol
SMILES Oc1c2\C=N\CCSCC\N=C\c3c(c(C=NCCSCC\N=C\c1cc(Cl)c2)cc(Cl)c3)O
SPLASH splash10-0pw9-0910010000-ea28e3c0375b02aeb0cd
Source of Spectrum O-21-187-7
Wiley ID 1404015