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[4-(4-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-1-methyl-4-piperidyl]methyl benzoate
SpectraBase Compound ID J8aplkXs2ED
InChI InChI=1S/C21H23NO5/c1-22-10-8-21(9-11-22,14-27-20(25)15-6-4-3-5-7-15)16-12-18(24)19(26-2)13-17(16)23/h3-7,12-13H,8-11,14H2,1-2H3
InChIKey KTNFZZDHBINPDG-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIkj6JYCxld
Name [4-(4-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-1-methyl-4-piperidyl]methyl benzoate
CAS Registry Number 88346-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-22-10-8-21(9-11-22,14-27-20(25)15-6-4-3-5-7-15)16-12-18(24)19(26-2)13-17(16)23/h3-7,12-13H,8-11,14H2,1-2H3
InChIKey KTNFZZDHBINPDG-UHFFFAOYSA-N
Molecular Weight 369.417 g/mol
SMILES C1(=CC(=O)C(=CC1=O)OC)C1(COC(=O)c2ccccc2)CCN(CC1)C
SPLASH splash10-05i3-9101000000-d98a0f416f5dd7cec32f
Source of Spectrum Y-20-1269-0
Synonyms [4-(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-1-methylpiperidin-4-yl]methyl benzoate [4-[4-methoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-1-methyl-piperidin-4-yl]methyl benzoate benzoic acid [4-(4-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)-1-methyl-4-piperidinyl]methyl ester
Wiley ID 1353702