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1,3-Bis(3-oxobutyl)azulene
SpectraBase Compound ID 3cQJKsi0Xpc
InChI InChI=1S/C18H20O2/c1-13(19)8-10-15-12-16(11-9-14(2)20)18-7-5-3-4-6-17(15)18/h3-7,12H,8-11H2,1-2H3
InChIKey CLLSRGOAGBUKSX-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ghw6d9ZUIfI
Name 1,3-Bis(3-oxobutyl)azulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-13(19)8-10-15-12-16(11-9-14(2)20)18-7-5-3-4-6-17(15)18/h3-7,12H,8-11H2,1-2H3
InChIKey CLLSRGOAGBUKSX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200303098
Molecular Weight 268.356 g/mol
SMILES c1(cc(c2cccccc12)CCC(C)=O)CCC(C)=O
SPLASH splash10-03di-0490000000-461782482895dbeec2fe
Source of Spectrum ASC-345-1251-15
Synonyms 4,4'-(azulene-1,3-diyl)bis(butan-2-one) 4-[3-(3-oxobutyl)-1-azulenyl]-2-butanone 4-[3-(3-oxobutyl)azulen-1-yl]butan-2-one 4-[3-(3-oxidanylidenebutyl)azulen-1-yl]butan-2-one
Wiley ID 1767346