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6-ethyl-5-hydroxy-7-methoxy-1,4-naphthoquinone
SpectraBase Compound ID KpTj9p0JkjJ
InChI InChI=1S/C13H12O4/c1-3-7-11(17-2)6-8-9(14)4-5-10(15)12(8)13(7)16/h4-6,16H,3H2,1-2H3
InChIKey DRBHVMCDGVLNGY-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnP1gqfu5m9
Name 6-ethyl-5-hydroxy-7-methoxy-1,4-naphthoquinone
Alternate Name(s) 6-ethyl-5-hydroxy-7-methoxy-naphthalene-1,4-dione 6-ethyl-7-methoxy-5-oxidanyl-naphthalene-1,4-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-3-7-11(17-2)6-8-9(14)4-5-10(15)12(8)13(7)16/h4-6,16H,3H2,1-2H3
InChIKey DRBHVMCDGVLNGY-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES Oc1c2c(cc(c1CC)OC)C(=O)C=CC2=O
SPLASH splash10-0159-0090000000-8d06fadf2c01e7611098
Source of Spectrum F-47-4293-19
Wiley ID 1233731