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sodium 5-(3,5-dioxocyclohex-1-en-1-yl)-5-oxopentanoate

View entire compound with spectra: 1 NMR

sodium 5-(3,5-dioxocyclohex-1-en-1-yl)-5-oxopentanoate
SpectraBase Compound ID HmYuSsJOHtY
InChI InChI=1S/C8H9N3O5.Na/c12-5-3-4(10-8(16)11-5)7(15)9-2-1-6(13)14;/h3H,1-2H2,(H,9,15)(H,13,14)(H2,10,11,12,16);/q;+1/p-1
InChIKey CHJFNPOWNOUOLY-UHFFFAOYSA-M
Mol Weight 249.16 g/mol
Molecular Formula C8H8N3NaO5
Exact Mass 249.036165 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4SvWDfnBWzH
Name sodium 5-(3,5-dioxocyclohex-1-en-1-yl)-5-oxopentanoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.036164645 u
Formula C8H8N3NaO5
InChI InChI=1S/C8H9N3O5.Na/c12-5-3-4(10-8(16)11-5)7(15)9-2-1-6(13)14;/h3H,1-2H2,(H,9,15)(H,13,14)(H2,10,11,12,16);/q;+1/p-1
InChIKey CHJFNPOWNOUOLY-UHFFFAOYSA-M
Molecular Weight 249.158 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17156
Solvent DMSO-d6
Source Vendor ID: NMR/11280469; Lab Info: UDN; Lab Number: UDN-1060002