| 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 |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4BVY8enOGHJ |
|---|---|
| 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 | 13C |
| Purity | 98% |
| Solvent | D2O & NaOD |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_009896 |