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1,4-Naphthalenedione, 2-(1,5-dioxohexyl)-8-methoxy-
SpectraBase Compound ID 5jdvXlTbkOY
InChI InChI=1S/C17H16O5/c1-10(18)5-3-7-13(19)12-9-14(20)11-6-4-8-15(22-2)16(11)17(12)21/h4,6,8-9H,3,5,7H2,1-2H3
InChIKey KCTWTRAKISGYRF-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTQE2HLNWxi
Name 1,4-Naphthalenedione, 2-(1,5-dioxohexyl)-8-methoxy-
Alternate Name(s) 5-Methoxy-3-(5-oxohexanoyl-1,4-naphthoquinone) 8-Methoxy-2-(5-oxohexanoyl)naphthoquinone
CAS Registry Number 95455-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-10(18)5-3-7-13(19)12-9-14(20)11-6-4-8-15(22-2)16(11)17(12)21/h4,6,8-9H,3,5,7H2,1-2H3
InChIKey KCTWTRAKISGYRF-UHFFFAOYSA-N
Molecular Weight 300.310 g/mol
SMILES C=1(C(c2c(OC)cccc2C(C1)=O)=O)C(=O)CCCC(=O)C
SPLASH splash10-0gbl-0192000000-51860a00766aaf49335b
Source of Spectrum F-40-4734-0
Wiley ID 1302886