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8,16-bis(aminomethyl)-1',1''-diethyl-12,18,27,35-tetramethyldispiro[1,6,20,25-tetraoxa[6.1.6.1]paracyclophane-13,4':32,4''-bispiperidine]
SpectraBase Compound ID HLimHQvfKYm
InChI InChI=1S/C52H72N4O4/c1-35-27-41-11-13-47(35)57-23-7-9-25-59-51-37(3)29-43(31-45(51)33-53)50(40-17-21-56(6)22-18-40)44-30-38(4)52(46(32-44)34-54)60-26-10-8-24-58-48-14-12-42(28-36(48)2)49(41)39-15-19-55(5)20-16-39/h11-14,27-32,39-40,49-50H,7-10,15-26,33-34,53-54H2,1-6H3
InChIKey BKWMYZFIIPUILY-UHFFFAOYSA-N
Mol Weight 817.2 g/mol
Molecular Formula C52H72N4O4
Exact Mass 816.555357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsQKytul1rT
Name 8,16-bis(aminomethyl)-1',1''-diethyl-12,18,27,35-tetramethyldispiro[1,6,20,25-tetraoxa[6.1.6.1]paracyclophane-13,4':32,4''-bispiperidine]
Alternate Name(s) 8,16-bis(aminomethyl)-1',1''-diethyl-12,18,27,35-tetramethyldispiro[1,6,20,25-tetraoxa[6.1.6.1]paracyclophane-13,4':32,4''-bispiperidine] [32-(aminomethyl)-14,29,33,37-tetramethyl-2,17-bis(1-methylpiperidin-4-yl)-7,12,22,27-tetraoxapentacyclo[26.2.2.2(3,6).2(13,16).2(18,21)]octatriaconta-1(30),3,5,13,15,18,20,28,31,33,35,37-dodecaen-5-yl]methanamine
CAS Registry Number 108787-25-3
Comments Less than 3 mono-isotopic peaks
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Formula C52H72N4O4
InChI InChI=1S/C52H72N4O4/c1-35-27-41-11-13-47(35)57-23-7-9-25-59-51-37(3)29-43(31-45(51)33-53)50(40-17-21-56(6)22-18-40)44-30-38(4)52(46(32-44)34-54)60-26-10-8-24-58-48-14-12-42(28-36(48)2)49(41)39-15-19-55(5)20-16-39/h11-14,27-32,39-40,49-50H,7-10,15-26,33-34,53-54H2,1-6H3
InChIKey BKWMYZFIIPUILY-UHFFFAOYSA-N
Molecular Weight 817.172 g/mol
SMILES NCc1cc2C(c3cc(CN)c(OCCCCOc4ccc(C(c5cc(c(OCCCCOc1c(c2)C)cc5)C)C1CCN(CC1)C)cc4C)c(c3)C)C1CCN(CC1)C
SPLASH splash10-001i-9000000000-5f4fe0bfb87902187243
Source of Spectrum J-53-2752-10
Wiley ID 1417392