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3-(2-Oxoheptyl)-1,2-naphthoquinone
SpectraBase Compound ID 8g02QnwupvQ
InChI InChI=1S/C17H18O3/c1-2-3-4-8-14(18)11-13-10-12-7-5-6-9-15(12)17(20)16(13)19/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey ISMRDMBWKYBNPN-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Nr26m6Fe4
Name 3-(2-Oxoheptyl)-1,2-naphthoquinone
Alternate Name(s) 3-(2-oxoheptyl)-1,2-naphthalenedione
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Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-2-3-4-8-14(18)11-13-10-12-7-5-6-9-15(12)17(20)16(13)19/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey ISMRDMBWKYBNPN-UHFFFAOYSA-N
Molecular Weight 270.328 g/mol
SMILES C1(C(C(=Cc2ccccc12)CC(CCCCC)=O)=O)=O
SPLASH splash10-00xv-4900000000-c849db3ab42ea67ca796
Source of Spectrum SO-0-316-5
Wiley ID 1543980