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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-tetrachloro-10,12,22,24-tetranitro-
SpectraBase Compound ID Ca1PFuwZIIk
InChI InChI=1S/C24H8Cl4N4O12/c25-9-1-10(26)18-5-17(9)41-21-7-23(15(31(37)38)3-13(21)29(33)34)43-19-6-20(12(28)2-11(19)27)44-24-8-22(42-18)14(30(35)36)4-16(24)32(39)40/h1-8H
InChIKey WQKYPUYHRXAYFU-UHFFFAOYSA-N
Mol Weight 686.2 g/mol
Molecular Formula C24H8Cl4N4O12
Exact Mass 683.889283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrfwUJlWup3
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-tetrachloro-10,12,22,24-tetranitro-
CAS Registry Number 55148-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H8Cl4N4O12
InChI InChI=1S/C24H8Cl4N4O12/c25-9-1-10(26)18-5-17(9)41-21-7-23(15(31(37)38)3-13(21)29(33)34)43-19-6-20(12(28)2-11(19)27)44-24-8-22(42-18)14(30(35)36)4-16(24)32(39)40/h1-8H
InChIKey WQKYPUYHRXAYFU-UHFFFAOYSA-N
Molecular Weight 686.156 g/mol
SMILES c1(N(=O)=O)c2Oc3cc(Oc4c(N(=O)=O)cc(c(Oc5cc(Oc(c(c1)N(=O)=O)c2)c(cc5Cl)Cl)c4)N(=O)=O)c(cc3Cl)Cl
SPLASH splash10-002r-2900008000-fb93e53f8f81259b0d56
Source of Spectrum F-32-2569-0
Synonyms 1,8,15,22-Tetraoxa[1,1,1,1]-3,5,17,19-tetranitro-10,12,24,26-tetrachloro-metacyclophane 4,6,16,18-tetrachloro-10,12,22,24-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 1414454