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3-(2-Oxohexyl)-1,2-naphthoquinone
SpectraBase Compound ID 2PEkJffhLh2
InChI InChI=1S/C16H16O3/c1-2-3-7-13(17)10-12-9-11-6-4-5-8-14(11)16(19)15(12)18/h4-6,8-9H,2-3,7,10H2,1H3
InChIKey CGWHGQVJFQSQHL-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3x0RAdpt3ww
Name 3-(2-Oxohexyl)-1,2-naphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-2-3-7-13(17)10-12-9-11-6-4-5-8-14(11)16(19)15(12)18/h4-6,8-9H,2-3,7,10H2,1H3
InChIKey CGWHGQVJFQSQHL-UHFFFAOYSA-N
Molecular Weight 256.301 g/mol
SMILES C1(C(C(=Cc2ccccc12)CC(CCCC)=O)=O)=O
SPLASH splash10-00xu-0910000000-9c3f2ca4a0253fce3eb2
Source of Spectrum SO-0-316-5
Synonyms 3-(2-oxohexyl)-1,2-naphthalenedione
Wiley ID 1543981