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Pentacyclo[26.2.2.2(4,7).2(12,15).2(20,23)]octatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,31,33,35,37-nonadecaene, (E,Z,Z,E,Z,E,Z)-
SpectraBase Compound ID C2bmAbA7J0O
InChI InChI=1S/C38H30/c1-2-8-32-15-19-34(20-16-32)10-4-6-12-36-23-27-38(28-24-36)30-29-37-25-21-35(22-26-37)11-5-3-9-33-17-13-31(7-1)14-18-33/h1-30H/b2-1-,5-3-,6-4-,7-1-,8-2-,9-3-,10-4-,11-5-,12-6-,30-29-,31-7-,32-8-,33-9-,34-10-,35-11-,36-12-,37-29-,38-30-
InChIKey PFHSLHVIOFWGFR-BPNBVNHDSA-N
Mol Weight 486.7 g/mol
Molecular Formula C38H30
Exact Mass 486.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHLjKmyWkig
Name Pentacyclo[26.2.2.2(4,7).2(12,15).2(20,23)]octatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,31,33,35,37-nonadecaene, (E,Z,Z,E,Z,E,Z)-
CAS Registry Number 77972-51-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H30
InChI InChI=1S/C38H30/c1-2-8-32-15-19-34(20-16-32)10-4-6-12-36-23-27-38(28-24-36)30-29-37-25-21-35(22-26-37)11-5-3-9-33-17-13-31(7-1)14-18-33/h1-30H/b2-1-,5-3-,6-4-,7-1-,8-2-,9-3-,10-4-,11-5-,12-6-,30-29-,31-7-,32-8-,33-9-,34-10-,35-11-,36-12-,37-29-,38-30-
InChIKey PFHSLHVIOFWGFR-BPNBVNHDSA-N
Molecular Weight 486.658 g/mol
SMILES c12\C=C/c3ccc(\C=C/C=C\c4ccc(\C=C/C=C\c5ccc(\C=C/C=C\c(cc2)cc1)cc5)cc4)cc3
SPLASH splash10-000i-0000900000-c0845935ca6274ff5bb9
Source of Spectrum KC-1981-667-0
Synonyms pentacyclo[26.2.2.2(4,7).2(12,15).2(20,23)]octatriaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28,31,33,35,37-nonadecaene [2(1)para[4(3)]paracyclophane
Wiley ID 1396652