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1,4-Naphthalenedione, 2-(1,5-dioxoheptyl)-8-methoxy-
SpectraBase Compound ID 1lnpjngmxw7
InChI InChI=1S/C18H18O5/c1-3-11(19)6-4-8-14(20)13-10-15(21)12-7-5-9-16(23-2)17(12)18(13)22/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKey NZVQMQIHOIIFJO-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0xiijMk9Im
Name 1,4-Naphthalenedione, 2-(1,5-dioxoheptyl)-8-methoxy-
CAS Registry Number 89101-84-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-3-11(19)6-4-8-14(20)13-10-15(21)12-7-5-9-16(23-2)17(12)18(13)22/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKey NZVQMQIHOIIFJO-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES C=1(C(c2c(OC)cccc2C(C1)=O)=O)C(=O)CCCC(=O)CC
SPLASH splash10-0006-0092000000-26a72d4fe1248bde60a0
Source of Spectrum F-40-4734-0
Synonyms 2-(1,5-dioxoheptyl)-8-methoxynaphthalene-1,4-dione 8-Methoxy-2-(5-oxoheptanoyl)naphthalene-1,4-dione 8-Methoxy-2-(5-oxidanylideneheptanoyl)naphthalene-1,4-dione
Wiley ID 1315093