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1,4-Naphthalenedione, 2-hydroxy-3-propyl-
SpectraBase Compound ID H5Oyjfvzonr
InChI InChI=1S/C13H12O3/c1-2-5-10-11(14)8-6-3-4-7-9(8)12(15)13(10)16/h3-4,6-7,16H,2,5H2,1H3
InChIKey YLXBHRSUAARBCT-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GttPV5gfNYu
Name 1,4-Naphthalenedione, 2-hydroxy-3-propyl-
Alternate Name(s) 2-Hydroxy-3-propylnaphthoquinone 1,4-Naphthoquinone, 2-hydroxy-3-propyl- 3-Propylnaphthalene-1,2,4-trione 3-Propyltetralin-1,2,4-trione
CAS Registry Number 29366-45-8
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O3
InChI InChI=1S/C13H12O3/c1-2-5-10-11(14)8-6-3-4-7-9(8)12(15)13(10)16/h3-4,6-7,16H,2,5H2,1H3
InChIKey YLXBHRSUAARBCT-UHFFFAOYSA-N
Molecular Weight 216.236 g/mol
SMILES OC1=C(C(=O)c2c(C1=O)cccc2)CCC
SPLASH splash10-0kxr-8910000000-58b326497e837a5846dc
Source of Spectrum O-3-853-4
Wiley ID 27428