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1,4-bis(7'-Isopropyl-1'-methylazulen-4'-yl)-2,3-bis(4'-methoxyphenyl)butane
SpectraBase Compound ID J7AjI5pTVLh
InChI InChI=1S/C46H50O2/c1-29(2)35-11-13-37(41-23-9-31(5)43(41)25-35)27-45(33-15-19-39(47-7)20-16-33)46(34-17-21-40(48-8)22-18-34)28-38-14-12-36(30(3)4)26-44-32(6)10-24-42(38)44/h9-26,29-30,45-46H,27-28H2,1-8H3
InChIKey BNACRIQNDNXQJJ-UHFFFAOYSA-N
Mol Weight 634.9 g/mol
Molecular Formula C46H50O2
Exact Mass 634.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jRIUhbeRE
Name 1,4-bis(7'-Isopropyl-1'-methylazulen-4'-yl)-2,3-bis(4'-methoxyphenyl)butane
Alternate Name(s) 7-isopropyl-4-[4-(7-isopropyl-1-methyl-4-azulenyl)-2,3-bis(4-methoxyphenyl)butyl]-1-methylazulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H50O2
InChI InChI=1S/C46H50O2/c1-29(2)35-11-13-37(41-23-9-31(5)43(41)25-35)27-45(33-15-19-39(47-7)20-16-33)46(34-17-21-40(48-8)22-18-34)28-38-14-12-36(30(3)4)26-44-32(6)10-24-42(38)44/h9-26,29-30,45-46H,27-28H2,1-8H3
InChIKey BNACRIQNDNXQJJ-UHFFFAOYSA-N
Molecular Weight 634.904 g/mol
SMILES c12c(c(CC(C(Cc3c4c(cc(cc3)C(C)C)c(C)cc4)c3ccc(cc3)OC)c3ccc(cc3)OC)ccc(c2)C(C)C)ccc1C
SPLASH splash10-014i-0905201000-8b8fe0d8977feaa3c5f8
Source of Spectrum H-77-1935-25
Wiley ID 1412312