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3-Propylplumbagin

View entire compound with spectra: 1 MS (GC)

3-Propylplumbagin
SpectraBase Compound ID 6kBdL0AoJE0
InChI InChI=1S/C14H14O3/c1-3-5-9-8(2)13(16)10-6-4-7-11(15)12(10)14(9)17/h4,6-7,15H,3,5H2,1-2H3
InChIKey IWRXVTLARCNSSS-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 EabAlHDCLMn
Name 3-Propylplumbagin
Alternate Name(s) 5-Hydroxy-2-methyl-3-propylnaphthalene-1,4-dione 5-Hydroxy-2-methyl-3-propyl-naphthalene-1,4-dione 2-Methyl-5-oxidanyl-3-propyl-naphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-3-5-9-8(2)13(16)10-6-4-7-11(15)12(10)14(9)17/h4,6-7,15H,3,5H2,1-2H3
InChIKey IWRXVTLARCNSSS-UHFFFAOYSA-N
Molecular Weight 230.263 g/mol
SMILES Oc1c2C(C(=C(C)C(c2ccc1)=O)CCC)=O
SPLASH splash10-001i-0090000000-ccc52fdf54edccaa3824
Source of Spectrum E1-45-442-3
Wiley ID 1553715