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2,8,14,20-Tetrathia-25,27-diazapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]oc tacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene, 4,6,16,18-tetranitro-
SpectraBase Compound ID Jz9VgqKbw9h
InChI InChI=1S/C22H10N6O8S4/c29-25(30)11-7-13(27(33)34)17-9-15(11)37-19-3-1-4-20(23-19)38-16-10-18(14(28(35)36)8-12(16)26(31)32)40-22-6-2-5-21(24-22)39-17/h1-10H
InChIKey WFVKBFAPDFGICH-UHFFFAOYSA-N
Mol Weight 614.6 g/mol
Molecular Formula C22H10N6O8S4
Exact Mass 613.944296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnKMrHeNarc
Name 2,8,14,20-Tetrathia-25,27-diazapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]oc tacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene, 4,6,16,18-tetranitro-
CAS Registry Number 78649-05-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H10N6O8S4
InChI InChI=1S/C22H10N6O8S4/c29-25(30)11-7-13(27(33)34)17-9-15(11)37-19-3-1-4-20(23-19)38-16-10-18(14(28(35)36)8-12(16)26(31)32)40-22-6-2-5-21(24-22)39-17/h1-10H
InChIKey WFVKBFAPDFGICH-UHFFFAOYSA-N
Molecular Weight 614.596 g/mol
SMILES c1(N(=O)=O)c2Sc3nc(Sc4c(N(=O)=O)cc(c(Sc5nc(Sc(c(c1)N(=O)=O)c2)ccc5)c4)N(=O)=O)ccc3
SPLASH splash10-014i-0000090000-80e50d70f47a4a6ade9d
Source of Spectrum 0-16-190-1
Synonyms 10,12,24,26-Tetranitro-1,8,15,22-tetrathia-bis((1)(2,6-spyridino(1)-metacyclophane)) 4,6,16,18-tetranitro-2,8,14,20-tetrathia-25,27-diazapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene
Wiley ID 1411155