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3-Acetyl-5-methoxy-2-[2-oxo-3-(pivaloyloxy)propyl]-1,4-naphthoquinone

View entire compound with spectra: 1 MS (GC)

3-Acetyl-5-methoxy-2-[2-oxo-3-(pivaloyloxy)propyl]-1,4-naphthoquinone
SpectraBase Compound ID HflmCzL0m9r
InChI InChI=1S/C21H22O7/c1-11(22)16-14(9-12(23)10-28-20(26)21(2,3)4)18(24)13-7-6-8-15(27-5)17(13)19(16)25/h6-8H,9-10H2,1-5H3
InChIKey HVAIHBQYHNBMIF-UHFFFAOYSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JOUf1tKKW
Name 3-Acetyl-5-methoxy-2-[2-oxo-3-(pivaloyloxy)propyl]-1,4-naphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-11(22)16-14(9-12(23)10-28-20(26)21(2,3)4)18(24)13-7-6-8-15(27-5)17(13)19(16)25/h6-8H,9-10H2,1-5H3
InChIKey HVAIHBQYHNBMIF-UHFFFAOYSA-N
Molecular Weight 386.400 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)c(OC)ccc2)CC(=O)COC(C(C)(C)C)=O)C(=O)C
SPLASH splash10-006x-0593000000-971c8147dc26a37857f9
Source of Spectrum K-2001-3193-15
Synonyms 2,2-Dimethylpropanoic acid[3-(3-acetyl-5-methoxy-1,4-dioxo-2-naphthalenyl)-2-oxopropyl]ester 2,2-Dimethylpropionic acid[3-(3-acetyl-1,4-diketo-5-methoxy-2-naphthyl)-2-keto-propyl]ester 3-(3-acetyl-5-methoxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-oxopropyl pivalate 3-Acetyl-5-methyl-2-[2-oxo-3-(pivaloyloxy)propyl]-1,4-naphthoquinone [3-(3-acetyl-5-methoxy-1,4-dioxo-2-naphthyl)-2-oxo-propyl]2,2-dimethylpropanoate [3-(3-acetyl-5-methoxy-1,4-dioxonaphthalen-2-yl)-2-oxopropyl]2,2-dimethylpropanoate [3-[3-ethanoyl-5-methoxy-1,4-bis(oxidanylidene)naphthalen-2-yl]-2-oxidanylidene-propyl]2,2-dimethylpropanoate 2,2-Dimethylpropanoic acid [3-(3-acetyl-5-methoxy-1,4-dioxo-2-naphthalenyl)-2-oxopropyl] ester [3-(3-acetyl-5-methoxy-1,4-dioxonaphthalen-2-yl)-2-oxopropyl] 2,2-dimethylpropanoate [3-(3-acetyl-5-methoxy-1,4-dioxo-2-naphthyl)-2-oxo-propyl] 2,2-dimethylpropanoate [3-[3-ethanoyl-5-methoxy-1,4-bis(oxidanylidene)naphthalen-2-yl]-2-oxidanylidene-propyl] 2,2-dimethylpropanoate
Wiley ID 1580092