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2,8,14,20-Tetrathiapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-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 5Xm9Dm06VM2
InChI InChI=1S/C24H12N4O8S4/c29-25(30)17-9-19(27(33)34)23-11-21(17)37-13-3-1-4-14(7-13)38-22-12-24(20(28(35)36)10-18(22)26(31)32)40-16-6-2-5-15(8-16)39-23/h1-12H
InChIKey JBANDGONEUMVPI-UHFFFAOYSA-N
Mol Weight 612.6 g/mol
Molecular Formula C24H12N4O8S4
Exact Mass 611.953798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VBjg8SWK6v
Name 2,8,14,20-Tetrathiapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-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 32730-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H12N4O8S4
InChI InChI=1S/C24H12N4O8S4/c29-25(30)17-9-19(27(33)34)23-11-21(17)37-13-3-1-4-14(7-13)38-22-12-24(20(28(35)36)10-18(22)26(31)32)40-16-6-2-5-15(8-16)39-23/h1-12H
InChIKey JBANDGONEUMVPI-UHFFFAOYSA-N
Molecular Weight 612.620 g/mol
SMILES c1(N(=O)=O)c2Sc3cc(Sc4c(N(=O)=O)cc(c(Sc5cc(Sc(c(c1)N(=O)=O)c2)ccc5)c4)N(=O)=O)ccc3
SPLASH splash10-03di-3331039000-a3f6a9ee02dd34ea59c3
Source of Spectrum F-32-2569-1
Synonyms 4,6,16,18-tetranitro-2,8,14,20-tetrathiapentacyclo[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 1411009