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7,22-bis(4'-Methoxyphenylsulfonyl)-7,14,15,22-tetraaza[7.2.7.1.]-(1,3)(1,3)(1,4)(1,4)cyclophan-14-ene
SpectraBase Compound ID HIp0FzbXRpq
InChI InChI=1S/C51H56N4O6S2/c1-60-48-27-31-50(32-28-48)62(56,57)54-35-9-5-3-7-13-40-19-23-42(24-20-40)37-43-25-21-41(22-26-43)14-8-4-6-10-36-55(63(58,59)51-33-29-49(61-2)30-34-51)47-18-12-16-45(39-47)53-52-44-15-11-17-46(54)38-44/h11-12,15-34,38-39H,3-10,13-14,35-37H2,1-2H3/b53-52+
InChIKey DEMQKFVJDIXLFT-KNPAHQFXSA-N
Mol Weight 885.2 g/mol
Molecular Formula C51H56N4O6S2
Exact Mass 884.364128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHE80JhFrKY
Name 7,22-bis(4'-Methoxyphenylsulfonyl)-7,14,15,22-tetraaza[7.2.7.1.]-(1,3)(1,3)(1,4)(1,4)cyclophan-14-ene
Alternate Name(s) (19E)-13,26-bis[(4-methoxybenzene)sulfonyl]-13,19,20,26-tetraazapentacyclo[31.2.2.2(3,6).1(14,18).1(21,25)]hentetraconta-1(35),3,5,14,16,18(39),19,21,23,25(38),33,36,40-tridecaene
CAS Registry Number 140676-46-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H56N4O6S2
InChI InChI=1S/C51H56N4O6S2/c1-60-48-27-31-50(32-28-48)62(56,57)54-35-9-5-3-7-13-40-19-23-42(24-20-40)37-43-25-21-41(22-26-43)14-8-4-6-10-36-55(63(58,59)51-33-29-49(61-2)30-34-51)47-18-12-16-45(39-47)53-52-44-15-11-17-46(54)38-44/h11-12,15-34,38-39H,3-10,13-14,35-37H2,1-2H3/b53-52+
InChIKey DEMQKFVJDIXLFT-KNPAHQFXSA-N
Molecular Weight 885.151 g/mol
SMILES c12N(S(c3ccc(cc3)OC)(=O)=O)CCCCCCc3ccc(Cc4ccc(CCCCCCN(c5cc(\N=N\c(c1)ccc2)ccc5)S(c1ccc(cc1)OC)(=O)=O)cc4)cc3
SPLASH splash10-03di-0000000890-6ed4b53a423161caff4b
Source of Spectrum K-125-1681-8
Wiley ID 1417933