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

*Links on SpectraBase are not permalinks.
4b,8b,12b,12d-Tetramethyl-2,3,6,7,10,11-hexakis(phenylethynyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
SpectraBase Compound ID IlwbrntLqqZ
InChI InChI=1S/C74H48/c1-71-65-47-59(41-35-53-23-11-5-12-24-53)61(43-37-55-27-15-7-16-28-55)49-67(65)72(2)69-51-63(45-39-57-31-19-9-20-32-57)64(46-40-58-33-21-10-22-34-58)52-70(69)73(3,74(71,72)4)68-50-62(44-38-56-29-17-8-18-30-56)60(48-66(68)71)42-36-54-25-13-6-14-26-54/h5-34,47-52H,1-4H3/t71-,72+,73-,74+
InChIKey XSZZUZJAHJZZGM-HKTZSUIUSA-N
Mol Weight 937.2 g/mol
Molecular Formula C74H48
Exact Mass 936.375602 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 1FWTfTbdHdq
Name 4b,8b,12b,12d-Tetramethyl-2,3,6,7,10,11-hexakis(phenylethynyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C74H48
InChI InChI=1S/C74H48/c1-71-65-47-59(41-35-53-23-11-5-12-24-53)61(43-37-55-27-15-7-16-28-55)49-67(65)72(2)69-51-63(45-39-57-31-19-9-20-32-57)64(46-40-58-33-21-10-22-34-58)52-70(69)73(3,74(71,72)4)68-50-62(44-38-56-29-17-8-18-30-56)60(48-66(68)71)42-36-54-25-13-6-14-26-54/h5-34,47-52H,1-4H3/t71-,72+,73-,74+
InChIKey XSZZUZJAHJZZGM-HKTZSUIUSA-N
Molecular Weight 937.198 g/mol
SMILES C12([C@]3(c4cc(C#Cc5ccccc5)c(C#Cc5ccccc5)cc4[C@@]1(c1cc(C#Cc4ccccc4)c(C#Cc4ccccc4)cc1[C@@]2(c1cc(C#Cc2ccccc2)c(C#Cc2ccccc2)cc31)C)C)C)C
SPLASH splash10-00di-0100100009-90911dc6b9bb85471d21
Source of Spectrum KC-57-3611-70
Synonyms 1,8,15,22-tetramethyl-4,5,11,12,18,19-hexakis(2-phenylethynyl)hexacyclo[13.6.1.0(2,7).0(8,22).0(9,14).0(16,21)]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaene
Wiley ID 1623889