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1,3-bis(7'-Isopropyl-1'-methylazulen-4'-yl)-2-(4'-chlorophenyl)propane
SpectraBase Compound ID 4vXRe7WVxZh
InChI InChI=1S/C37H39Cl/c1-23(2)28-9-11-30(34-17-7-25(5)36(34)21-28)19-32(27-13-15-33(38)16-14-27)20-31-12-10-29(24(3)4)22-37-26(6)8-18-35(31)37/h7-18,21-24,32H,19-20H2,1-6H3
InChIKey KYNVUVSRCQUHTO-UHFFFAOYSA-N
Mol Weight 519.2 g/mol
Molecular Formula C37H39Cl
Exact Mass 518.274029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPPKYsEd7Fh
Name 1,3-bis(7'-Isopropyl-1'-methylazulen-4'-yl)-2-(4'-chlorophenyl)propane
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Formula C37H39Cl
InChI InChI=1S/C37H39Cl/c1-23(2)28-9-11-30(34-17-7-25(5)36(34)21-28)19-32(27-13-15-33(38)16-14-27)20-31-12-10-29(24(3)4)22-37-26(6)8-18-35(31)37/h7-18,21-24,32H,19-20H2,1-6H3
InChIKey KYNVUVSRCQUHTO-UHFFFAOYSA-N
Molecular Weight 519.172 g/mol
SMILES c12c(c(ccc(c2)C(C)C)CC(Cc2c3c(cc(cc2)C(C)C)c(C)cc3)c2ccc(cc2)Cl)ccc1C
SPLASH splash10-00xr-0408090000-3a54f2dbeb77fe0a5ddb
Source of Spectrum H-77-1936-24
Synonyms 4-[2-(4-chlorophenyl)-3-(7-isopropyl-1-methyl-4-azulenyl)propyl]-7-isopropyl-1-methylazulene
Wiley ID 1401803