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1,4-Naphthalenedione, 2-hydroxy-3-(1-hydroxy-3-methylbutyl)-
SpectraBase Compound ID yWH9Lhr51I
InChI InChI=1S/C15H16O4/c1-8(2)7-11(16)12-13(17)9-5-3-4-6-10(9)14(18)15(12)19/h3-6,8,11,16,19H,7H2,1-2H3
InChIKey VYLHHXKDNJVBFQ-UHFFFAOYSA-N
Mol Weight 260.29 g/mol
Molecular Formula C15H16O4
Exact Mass 260.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7o8i5VxZnDf
Name 1,4-Naphthalenedione, 2-hydroxy-3-(1-hydroxy-3-methylbutyl)-
CAS Registry Number 55030-44-9
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O4
InChI InChI=1S/C15H16O4/c1-8(2)7-11(16)12-13(17)9-5-3-4-6-10(9)14(18)15(12)19/h3-6,8,11,16,19H,7H2,1-2H3
InChIKey VYLHHXKDNJVBFQ-UHFFFAOYSA-N
Molecular Weight 260.289 g/mol
SMILES OC(C1=C(C(c2c(C1=O)cccc2)=O)O)CC(C)C
SPLASH splash10-0pdl-8950000000-ac48b335484c9f783b1f
Source of Spectrum O-3-849-3
Synonyms 2-Hydroxy-3-(1-hydroxy-3-methylbutyl)naphthoquinone
Wiley ID 37186