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1,21:4,6:9,12:15,18-Tetraethenobenzocycloeicosene, (Z,Z,Z)-
SpectraBase Compound ID HfsoxAATVsv
InChI InChI=1S/C32H22/c1-2-24-5-9-26(10-6-24)12-14-28-16-18-30-20-19-29-17-15-27(21-31(29)32(30)22-28)13-11-25-7-3-23(1)4-8-25/h1-22H/b2-1-,13-11-,14-12-,23-1-,24-2-,25-11-,26-12-,27-13-,28-14-
InChIKey WLVZUNZQVIKQEW-XTRWGKQJSA-N
Mol Weight 406.5 g/mol
Molecular Formula C32H22
Exact Mass 406.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dxhSMwGaQ4
Name 1,21:4,6:9,12:15,18-Tetraethenobenzocycloeicosene, (Z,Z,Z)-
CAS Registry Number 89265-23-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H22
InChI InChI=1S/C32H22/c1-2-24-5-9-26(10-6-24)12-14-28-16-18-30-20-19-29-17-15-27(21-31(29)32(30)22-28)13-11-25-7-3-23(1)4-8-25/h1-22H/b2-1-,13-11-,14-12-,23-1-,24-2-,25-11-,26-12-,27-13-,28-14-
InChIKey WLVZUNZQVIKQEW-XTRWGKQJSA-N
Molecular Weight 406.528 g/mol
SMILES c12c3cc4\C=C/c5ccc(cc5)\C=C/c5ccc(\C=C/c(c1)ccc2ccc3cc4)cc5
SPLASH splash10-0a4i-0010900000-d4e45304f61746a952d0
Source of Spectrum SB-37-593-0
Synonyms hexacyclo[14.8.4.2(4,7).2(10,13).0(19,27).0(22,26)]dotriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31-hexadecaene [2.2.2](3,6)phenanthrenodiparacyclophanediene
Wiley ID 1372471