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Pentacyclo[18.2.2.2(2,5).1(8,12).1(13,17)]octacosa-2,4,6,8,10,12(26),13,15,17(25),18,20,22,23,27-tetradecaene
SpectraBase Compound ID 85n9vuzJwsp
InChI InChI=1S/C28H20/c1-3-23-9-10-24-4-2-6-28(20-24)26-17-13-22(14-18-26)8-7-21-11-15-25(16-12-21)27(5-1)19-23/h1-20H/b8-7-,10-9-
InChIKey NCTDSNKXGAJMSN-QRLRYFCNSA-N
Mol Weight 356.47 g/mol
Molecular Formula C28H20
Exact Mass 356.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNhPd0z5YCq
Name Pentacyclo[18.2.2.2(2,5).1(8,12).1(13,17)]octacosa-2,4,6,8,10,12(26),13,15,17(25),18,20,22,23,27-tetradecaene
CAS Registry Number 73761-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20
InChI InChI=1S/C28H20/c1-3-23-9-10-24-4-2-6-28(20-24)26-17-13-22(14-18-26)8-7-21-11-15-25(16-12-21)27(5-1)19-23/h1-20H/b8-7-,10-9-
InChIKey NCTDSNKXGAJMSN-QRLRYFCNSA-N
Molecular Weight 356.468 g/mol
SMILES c12-c3ccc(\C=C/c4ccc(-c5cc(\C=C/c(c2)ccc1)ccc5)cc4)cc3
SPLASH splash10-0a4i-0009000000-726f46bd35620e553af3
Source of Spectrum B-33-830-0
Synonyms Pentacyclo[18.2.2.2(14,17).1(2,6).1(9,13)]octacosa-1(22),2(28),3,5,7,9(27),10,12,14,16,18,20,23,25-tetradecaene [2,2](3,3',4,4')biphenylophane-1,15-diene
Wiley ID 1346277