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2-[(4,6-diamino-2-pyrimidinyl)sulfanyl]propanoic acid
SpectraBase Compound ID LXvrOe6mkvI
InChI InChI=1S/C7H10N4O2S/c1-3(6(12)13)14-7-10-4(8)2-5(9)11-7/h2-3H,1H3,(H,12,13)(H4,8,9,10,11)
InChIKey VMMSKDJWIWBHJL-UHFFFAOYSA-N
Mol Weight 214.24 g/mol
Molecular Formula C7H10N4O2S
Exact Mass 214.052447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8FlzMg9QoMg
Name propanoic acid, 2-[(4,6-diamino-2-pyrimidinyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.052446750 u
Formula C7H10N4O2S
InChI InChI=1S/C7H10N4O2S/c1-3(6(12)13)14-7-10-4(8)2-5(9)11-7/h2-3H,1H3,(H,12,13)(H4,8,9,10,11)
InChIKey VMMSKDJWIWBHJL-UHFFFAOYSA-N
Molecular Weight 214.243 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15750
Solvent DMSO-d6
Source Vendor ID: NMR/10311675; Lab Info: JSA; Lab Number: JSA-0000275