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2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-4-(methylsulfanyl)butanoic acid

View entire compound with spectra: 1 NMR

2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-4-(methylsulfanyl)butanoic acid
SpectraBase Compound ID H09iEgtzIWm
InChI InChI=1S/C9H14N4O4S/c1-18-3-2-4(7(14)15)13-6-5(11-9(13)17)10-8(16)12-6/h4-6H,2-3H2,1H3,(H,11,17)(H,14,15)(H2,10,12,16)
InChIKey ZIJZHICDZSWHSK-UHFFFAOYSA-N
Mol Weight 274.29 g/mol
Molecular Formula C9H14N4O4S
Exact Mass 274.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AMOJCrisfkr
Name 2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-4-(methylsulfanyl)butanoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C9H14N4O4S/c1-18-3-2-4(7(14)15)13-6-5(11-9(13)17)10-8(16)12-6/h4-6H,2-3H2,1H3,(H,11,17)(H,14,15)(H2,10,12,16)
InChIKey ZIJZHICDZSWHSK-UHFFFAOYSA-N
NMR Offset 15.3538
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14925
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C26409; Labnumber: KRAV-0789; SBI_ID: SBI-014928
Temperature 308 °C