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sodium 6-(3,5-dioxocyclohex-1-en-1-yl)-6-oxohexanoate

View entire compound with spectra: 1 NMR

sodium 6-(3,5-dioxocyclohex-1-en-1-yl)-6-oxohexanoate
SpectraBase Compound ID KXUFtOrgZML
InChI InChI=1S/C9H11N3O5.Na/c13-6-4-5(11-9(17)12-6)8(16)10-3-1-2-7(14)15;/h4H,1-3H2,(H,10,16)(H,14,15)(H2,11,12,13,17);/q;+1/p-1
InChIKey BFANPSDSFPBWCT-UHFFFAOYSA-M
Mol Weight 263.18 g/mol
Molecular Formula C9H10N3NaO5
Exact Mass 263.051815 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ibM4r6V4J
Name sodium 6-(3,5-dioxocyclohex-1-en-1-yl)-6-oxohexanoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.051814709 u
Formula C9H10N3NaO5
InChI InChI=1S/C9H11N3O5.Na/c13-6-4-5(11-9(17)12-6)8(16)10-3-1-2-7(14)15;/h4H,1-3H2,(H,10,16)(H,14,15)(H2,11,12,13,17);/q;+1/p-1
InChIKey BFANPSDSFPBWCT-UHFFFAOYSA-M
Molecular Weight 263.185 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17723
Solvent DMSO-d6
Source Vendor ID: NMR/11210689; Lab Info: UDN; Lab Number: UDN-0000002