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1,3-Bis[bis(2-methyl-1-azulenyl)methyl]-2-methylazulene
SpectraBase Compound ID JBAK7bVMX5J
InChI InChI=1S/C57H46/c1-35-31-40-21-11-6-15-25-44(40)50(35)56(51-36(2)32-41-22-12-7-16-26-45(41)51)54-39(5)55(49-30-20-10-19-29-48(49)54)57(52-37(3)33-42-23-13-8-17-27-46(42)52)53-38(4)34-43-24-14-9-18-28-47(43)53/h6-34,56-57H,1-5H3
InChIKey KSXQBOWGEGKFAY-UHFFFAOYSA-N
Mol Weight 731.0 g/mol
Molecular Formula C57H46
Exact Mass 730.359951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fJTyLKgmSm
Name 1,3-Bis[bis(2-methyl-1-azulenyl)methyl]-2-methylazulene
Alternate Name(s) 1,3-bis[bis(2-methylazulen-1-yl)methyl]-2-methyl-azulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C57H46
InChI InChI=1S/C57H46/c1-35-31-40-21-11-6-15-25-44(40)50(35)56(51-36(2)32-41-22-12-7-16-26-45(41)51)54-39(5)55(49-30-20-10-19-29-48(49)54)57(52-37(3)33-42-23-13-8-17-27-46(42)52)53-38(4)34-43-24-14-9-18-28-47(43)53/h6-34,56-57H,1-5H3
InChIKey KSXQBOWGEGKFAY-UHFFFAOYSA-N
Molecular Weight 730.995 g/mol
SMILES c1(c2c(ccccc2)c(c1C)C(c1c(cc2c1ccccc2)C)c1c(cc2c1ccccc2)C)C(c1c(cc2c1ccccc2)C)c1c(cc2c1ccccc2)C
SPLASH splash10-0006-0910000000-110e261691c13f92d8dc
Source of Spectrum AJ-68-2647-8
Wiley ID 773410