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2,8,14,20-Tetraoxapentacyclo[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 5JcXmd3rz2i
InChI InChI=1S/C24H12N4O12/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 AWSMNODFFHTZNL-UHFFFAOYSA-N
Mol Weight 548.38 g/mol
Molecular Formula C24H12N4O12
Exact Mass 548.045172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSipEVH1tuR
Name 2,8,14,20-Tetraoxapentacyclo[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 7166-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H12N4O12
InChI InChI=1S/C24H12N4O12/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 AWSMNODFFHTZNL-UHFFFAOYSA-N
Molecular Weight 548.376 g/mol
SMILES c1(N(=O)=O)c2cc(c(c1)N(=O)=O)Oc1cc(Oc3c(N(=O)=O)cc(c(Oc4cc(O2)ccc4)c3)N(=O)=O)ccc1
SPLASH splash10-0002-8930070000-a599fa5dc05549375076
Source of Spectrum F-32-2569-1
Synonyms 1,8,15,22-Tetraoxo[1,1,1,1]-3,5,17,19-tetranitrometacyclophane 4,6,16,18-tetranitro-2,8,14,20-tetraoxapentacyclo[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 1405396