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5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(hydrazinocarbonylmethyloxy)calix[4]arene
SpectraBase Compound ID G8mLG6mCJoB
InChI InChI=1S/C52H72N8O8/c1-49(2,3)37-17-29-13-31-19-38(50(4,5)6)21-33(46(31)66-26-42(62)58-54)15-35-23-40(52(10,11)12)24-36(48(35)68-28-44(64)60-56)16-34-22-39(51(7,8)9)20-32(47(34)67-27-43(63)59-55)14-30(18-37)45(29)65-25-41(61)57-53/h17-24H,13-16,25-28,53-56H2,1-12H3,(H,57,61)(H,58,62)(H,59,63)(H,60,64)
InChIKey BSIPGXDDXHVCQS-UHFFFAOYSA-N
Mol Weight 937.2 g/mol
Molecular Formula C52H72N8O8
Exact Mass 936.547311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nWUCZXvv2p
Name 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(hydrazinocarbonylmethyloxy)calix[4]arene
Alternate Name(s) 2-({5,11,17,23-tetra-tert-butyl-26,27,28-tris[(hydrazinecarbonyl)methoxy]pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaen-25-yl}oxy)acetohydrazide
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Formula C52H72N8O8
InChI InChI=1S/C52H72N8O8/c1-49(2,3)37-17-29-13-31-19-38(50(4,5)6)21-33(46(31)66-26-42(62)58-54)15-35-23-40(52(10,11)12)24-36(48(35)68-28-44(64)60-56)16-34-22-39(51(7,8)9)20-32(47(34)67-27-43(63)59-55)14-30(18-37)45(29)65-25-41(61)57-53/h17-24H,13-16,25-28,53-56H2,1-12H3,(H,57,61)(H,58,62)(H,59,63)(H,60,64)
InChIKey BSIPGXDDXHVCQS-UHFFFAOYSA-N
Molecular Weight 937.196 g/mol
SMILES N(C(COc1c2Cc3c(c(Cc4c(OCC(=O)NN)c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)OCC(=O)NN)cc(c4)C(C)(C)C)cc(c3)C(C)(C)C)OCC(=O)NN)=O)N
SPLASH splash10-0550-0000000069-3aa7eab482a04faf7ccc
Source of Spectrum O1-36-1324-3
Wiley ID 819923