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10,11,27,28-terakis(4-methylphenyl)[3.2.3.2]paracyclophane-10,27-diene
SpectraBase Compound ID ILCwWCGuhqx
InChI InChI=1S/C62H56/c1-43-23-31-51(32-24-43)59-55-19-7-15-47(39-55)11-5-13-49-17-9-21-57(41-49)61(53-35-27-45(3)28-36-53)62(54-37-29-46(4)30-38-54)58-22-10-18-50(42-58)14-6-12-48-16-8-20-56(40-48)60(59)52-33-25-44(2)26-34-52/h7-10,15-42H,5-6,11-14H2,1-4H3/b60-59-,62-61-
InChIKey JBXVJFBHWIVRDE-UPQAFCMNSA-N
Mol Weight 801.1 g/mol
Molecular Formula C62H56
Exact Mass 800.438202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44r3VEdiTS9
Name 10,11,27,28-terakis(4-methylphenyl)[3.2.3.2]paracyclophane-10,27-diene
CAS Registry Number 121733-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C62H56
InChI InChI=1S/C62H56/c1-43-23-31-51(32-24-43)59-55-19-7-15-47(39-55)11-5-13-49-17-9-21-57(41-49)61(53-35-27-45(3)28-36-53)62(54-37-29-46(4)30-38-54)58-22-10-18-50(42-58)14-6-12-48-16-8-20-56(40-48)60(59)52-33-25-44(2)26-34-52/h7-10,15-42H,5-6,11-14H2,1-4H3/b60-59-,62-61-
InChIKey JBXVJFBHWIVRDE-UPQAFCMNSA-N
Molecular Weight 801.130 g/mol
SMILES c12\C(=C/(c3cc(CCCc4cc(\C(=C/(c5cc(CCCc(c2)ccc1)ccc5)c1ccc(cc1)C)c1ccc(cc1)C)ccc4)ccc3)c1ccc(cc1)C)c1ccc(cc1)C
SPLASH splash10-0udi-0000000090-a727c093695025d9157d
Source of Spectrum K-122-2296-10
Synonyms 2,3,17,18-tetrakis(4-methylphenyl)pentacyclo[25.3.1.1(4,8).1(12,16).1(19,23)]tetratriaconta-1(31),2,4(34),5,7,12(33),13,15,17,19(32),20,22,27,29-tetradecaene
Wiley ID 1417181