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Pentacyclo[23.3.1.1(4,8).1(11,15).1(18,22)]dotriaconta-1(29),2,4,6,8(32),9,11,13,15(31),16,18,20,22(30),23,25,27-hexadecaene, (E,Z,Z,Z)-
SpectraBase Compound ID AVUejLfHYOe
InChI InChI=1S/C32H24/c1-5-25-13-15-27-7-2-9-29(22-27)17-19-31-11-4-12-32(24-31)20-18-30-10-3-8-28(23-30)16-14-26(6-1)21-25/h1-24H/b15-13-,16-14-,19-17-,20-18+
InChIKey QNBHDAYVKIUUBA-STGIPTOASA-N
Mol Weight 408.5 g/mol
Molecular Formula C32H24
Exact Mass 408.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DMm792ZTcr
Name Pentacyclo[23.3.1.1(4,8).1(11,15).1(18,22)]dotriaconta-1(29),2,4,6,8(32),9,11,13,15(31),16,18,20,22(30),23,25,27-hexadecaene, (E,Z,Z,Z)-
Alternate Name(s) cis,cis,cis,trans-(24)orthoparaorthoparacyclophanediene Pentacyclo[23.3.1.1(4,8).1(11,15).1(18,22)]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18(30),19,21,23,25,27-hexadecaene
CAS Registry Number 66726-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H24
InChI InChI=1S/C32H24/c1-5-25-13-15-27-7-2-9-29(22-27)17-19-31-11-4-12-32(24-31)20-18-30-10-3-8-28(23-30)16-14-26(6-1)21-25/h1-24H/b15-13-,16-14-,19-17-,20-18+
InChIKey QNBHDAYVKIUUBA-STGIPTOASA-N
Molecular Weight 408.544 g/mol
SMILES c12\C=C/c3cc(\C=C/c4cc(\C=C/c5cc(\C=C\c(c2)ccc1)ccc5)ccc4)ccc3
SPLASH splash10-0pb9-0096800000-e0c8249f66bf4fc2e159
Source of Spectrum SB-32-116-0
Wiley ID 1373228