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2-HYDROXY-3-BUTYL-1,4-NAPHTHOQUINONE
SpectraBase Compound ID BUOpjO1NXOM
InChI InChI=1S/C14H14O3/c1-2-3-6-11-12(15)9-7-4-5-8-10(9)13(16)14(11)17/h4-5,7-8,17H,2-3,6H2,1H3
InChIKey ZONYJZHBAWFOLS-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 564ZOWWiM0I
Name 1,4-Naphthalenedione, 2-butyl-3-hydroxy-
Alternate Name(s) 2-Butyl-3-hydroxynaphthoquinone 1,4-Naphthoquinone, 2-butyl-3-hydroxy-
CAS Registry Number 29366-46-9
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-2-3-6-11-12(15)9-7-4-5-8-10(9)13(16)14(11)17/h4-5,7-8,17H,2-3,6H2,1H3
InChIKey ZONYJZHBAWFOLS-UHFFFAOYSA-N
Molecular Weight 230.263 g/mol
SMILES OC1=C(C(=O)c2c(C1=O)cccc2)CCCC
SPLASH splash10-004i-7910000000-10ea5b9f184d4d6c0330
Source of Spectrum O-3-853-4
Wiley ID 30926