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2-(BUT-1-ENYL)-3-HYDROXY-1,4-NAPHTOQUINONE
SpectraBase Compound ID 2HdHRC4uVQA
InChI InChI=1S/C14H12O3/c1-2-3-6-11-12(15)9-7-4-5-8-10(9)13(16)14(11)17/h3-8,17H,2H2,1H3/b6-3+
InChIKey PXDFIBXGVZQARF-ZZXKWVIFSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KmagGSbo69
Name 1,4-Naphthalenedione, 2-(1-butenyl)-3-hydroxy-
Alternate Name(s) 2-[(1E)-1-Butenyl]-3-hydroxynaphthoquinone 1,4-Naphthoquinone, 2-(1-butenyl)-3-hydroxy-
CAS Registry Number 29366-43-6
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-2-3-6-11-12(15)9-7-4-5-8-10(9)13(16)14(11)17/h3-8,17H,2H2,1H3/b6-3+
InChIKey PXDFIBXGVZQARF-ZZXKWVIFSA-N
Molecular Weight 228.247 g/mol
SMILES OC1=C(C(=O)c2c(C1=O)cccc2)\C=C\CC
SPLASH splash10-01t9-9730000000-144035531a396d91e6c7
Source of Spectrum O-3-845-2
Wiley ID 30517