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3,4,16,17-tetraphenylheptacyclo[17.7.1.1(6,14).0(2,5).0(7,12).0(15,18).0(20,25)]octacosa-1(26),6(28),7(12),8,10,13,19(27),20(25),21,23-decaene
SpectraBase Compound ID JPxOZJSpBkC
InChI InChI=1S/C52H40/c1-5-17-33(18-6-1)45-47(35-21-9-3-10-22-35)51-43-32-40(30-38-26-14-15-27-41(38)43)50-46(34-19-7-2-8-20-34)48(36-23-11-4-12-24-36)52(50)44-31-39(49(45)51)29-37-25-13-16-28-42(37)44/h1-32,45-52H
InChIKey ASDGFCOIAWACHV-UHFFFAOYSA-N
Mol Weight 664.9 g/mol
Molecular Formula C52H40
Exact Mass 664.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 543gZE0MHSZ
Name 3,4,16,17-tetraphenylheptacyclo[17.7.1.1(6,14).0(2,5).0(7,12).0(15,18).0(20,25)]octacosa-1(26),6(28),7(12),8,10,13,19(27),20(25),21,23-decaene
Alternate Name(s) 3,4,16,17-tetraphenylheptacyclo[17.7.1.1(6,14).0(2,5).0(7,12).0(15,18).0(20,25)]octacosa-1(27),6,7,9,11,12,14(28),19,20,22,24,25-dodecaene
CAS Registry Number 121373-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H40
InChI InChI=1S/C52H40/c1-5-17-33(18-6-1)45-47(35-21-9-3-10-22-35)51-43-32-40(30-38-26-14-15-27-41(38)43)50-46(34-19-7-2-8-20-34)48(36-23-11-4-12-24-36)52(50)44-31-39(49(45)51)29-37-25-13-16-28-42(37)44/h1-32,45-52H
InChIKey ASDGFCOIAWACHV-UHFFFAOYSA-N
Molecular Weight 664.892 g/mol
SMILES C12C(c3cc(C4C(c5cc2c2c(c5)cccc2)C(C4c2ccccc2)c2ccccc2)c2c(c3)cccc2)C(C1c1ccccc1)c1ccccc1
SPLASH splash10-001i-0009000000-56a9c858de19e7b6aa59
Source of Spectrum K-122-2145-6
Wiley ID 1413730