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2-[2'-Acetyl-3'-oxocyclohex-1'-yl]-8-hydroxy-1,4-naphthoquinone
SpectraBase Compound ID JksvvliYUP4
InChI InChI=1S/C18H16O5/c1-9(19)16-10(4-2-6-13(16)20)12-8-15(22)11-5-3-7-14(21)17(11)18(12)23/h3,5,7-8,10,16,21H,2,4,6H2,1H3
InChIKey CJRFMIPETBMHAV-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26FnveCiPgr
Name 2-[2'-Acetyl-3'-oxocyclohex-1'-yl]-8-hydroxy-1,4-naphthoquinone
Alternate Name(s) 2-(2-acetyl-3-oxocyclohexyl)-8-hydroxynaphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-9(19)16-10(4-2-6-13(16)20)12-8-15(22)11-5-3-7-14(21)17(11)18(12)23/h3,5,7-8,10,16,21H,2,4,6H2,1H3
InChIKey CJRFMIPETBMHAV-UHFFFAOYSA-N
Molecular Weight 312.321 g/mol
SMILES Oc1c2C(C(=CC(c2ccc1)=O)C1C(C(=O)CCC1)C(=O)C)=O
SPLASH splash10-0006-0090000000-e5ff4abbf22baf693e8a
Source of Spectrum K1-2000-1981-8
Wiley ID 750435