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

*Links on SpectraBase are not permalinks.
Heptacyclo[28.2.2.2(14,17).1(4,8).1(7,11).1(20,24).1(23,27)]tetraconta-2,4,6,8(40),9,11(39),12,14,16,18,20,22,24(36),25,27(35),28,30,32,33,37-eicosa ene
SpectraBase Compound ID 2SbTqdH4xr6
InChI InChI=1S/C40H28/c1-2-30-4-3-29(1)9-13-33-17-21-38-27-35(19-23-37(38)25-33)15-11-31-5-7-32(8-6-31)12-16-36-20-24-39-26-34(14-10-30)18-22-40(39)28-36/h1-28H/b13-9-,14-10-,15-11-,16-12-,29-9-,30-10-,31-11-,32-12-,33-13-,34-14+,35-15+,36-16-
InChIKey UOCYEMXRCKAHIS-AZYWUFLLSA-N
Mol Weight 508.7 g/mol
Molecular Formula C40H28
Exact Mass 508.219101 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 FC7U1b2X7p5
Name Heptacyclo[28.2.2.2(14,17).1(4,8).1(7,11).1(20,24).1(23,27)]tetraconta-2,4,6,8(40),9,11(39),12,14,16,18,20,22,24(36),25,27(35),28,30,32,33,37-eicosa ene
CAS Registry Number 72862-26-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H28
InChI InChI=1S/C40H28/c1-2-30-4-3-29(1)9-13-33-17-21-38-27-35(19-23-37(38)25-33)15-11-31-5-7-32(8-6-31)12-16-36-20-24-39-26-34(14-10-30)18-22-40(39)28-36/h1-28H/b13-9-,14-10-,15-11-,16-12-,29-9-,30-10-,31-11-,32-12-,33-13-,34-14+,35-15+,36-16-
InChIKey UOCYEMXRCKAHIS-AZYWUFLLSA-N
Molecular Weight 508.664 g/mol
SMILES c12c3cc(\C=C/c4ccc(\C=C/c5cc6ccc(cc6cc5)\C=C/c5ccc(\C=C/c(c1)cc3)cc5)cc4)cc2
SPLASH splash10-0a4i-0000090000-32279b2d3b25ff0fbb78
Source of Spectrum SB-33-447-0
Synonyms Heptacyclo[28.2.2.2(14,17).1(4,8).1(7,11).1(20,24).1(23,27)]tetraconta-1(32),2,4(40),5,7,9,11(39),12,14,16,18,20(38),21,23,25,27(37),28,30,33,35-icosaene [2](1,5)naphthaleno(2)paracyclo[2](1,5)naphtholeno[2]paracyclophanetetraene [2](2,6)naphthaleno[2]paracyclo[2](2,6)naphthaleno[2]paracyclophanetetraene
Wiley ID 1400303