For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,2,16,17-Tetraphenyl-[2.1.2.1]paracyclophane-1,16-diene
SpectraBase Compound ID rNtoPevBD1
InChI InChI=1S/C54H40/c1-5-13-43(14-6-1)51-47-29-21-39(22-30-47)37-41-25-33-49(34-26-41)53(45-17-9-3-10-18-45)54(46-19-11-4-12-20-46)50-35-27-42(28-36-50)38-40-23-31-48(32-24-40)52(51)44-15-7-2-8-16-44/h1-36H,37-38H2/b52-51-,54-53-
InChIKey QBCDBLCXOMAVAV-IJNHWBTQSA-N
Mol Weight 688.9 g/mol
Molecular Formula C54H40
Exact Mass 688.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Bw4D8NF4GgB
Name 1,2,16,17-Tetraphenyl-[2.1.2.1]paracyclophane-1,16-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H40
InChI InChI=1S/C54H40/c1-5-13-43(14-6-1)51-47-29-21-39(22-30-47)37-41-25-33-49(34-26-41)53(45-17-9-3-10-18-45)54(46-19-11-4-12-20-46)50-35-27-42(28-36-50)38-40-23-31-48(32-24-40)52(51)44-15-7-2-8-16-44/h1-36H,37-38H2/b52-51-,54-53-
InChIKey QBCDBLCXOMAVAV-IJNHWBTQSA-N
Molecular Weight 688.914 g/mol
SMILES c12\C(=C/(c3ccc(Cc4ccc(\C(=C/(c5ccc(Cc(cc2)cc1)cc5)c1ccccc1)c1ccccc1)cc4)cc3)c1ccccc1)c1ccccc1
SPLASH splash10-017c-6901006000-0a79e798c646837cd596
Source of Spectrum K-127-1165-12
Synonyms 7,8,18,19-tetraphenylpentacyclo[18.2.2.2(3,6).2(9,12).2(14,17)]triaconta-1(22),3,5,7,9,11,14,16,18,20,23,25,27,29-tetradecaene
Wiley ID 1414637