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Thymine-1-acetic acid
SpectraBase Compound ID GqLLxvFApjb
InChI InChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)
InChIKey TZDMCKHDYUDRMB-UHFFFAOYSA-N
Mol Weight 184.15 g/mol
Molecular Formula C7H8N2O4
Exact Mass 184.048407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HOIF8J11RnN
Name Thymine-1-acetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 448958
CAS Registry Number 20924-05-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N2O4
InChI InChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)
InChIKey TZDMCKHDYUDRMB-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent D2O & NaOD
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_009819