| SpectraBase Compound ID | 38RFpcMbKYj |
|---|---|
| InChI | InChI=1S/C15H14N4O4/c1-7-4-9-10(5-8(7)2)19(6-11(20)23-3)13-12(16-9)14(21)18-15(22)17-13/h4-5H,6H2,1-3H3,(H,18,21,22) |
| InChIKey | UXSBUDSTALBZEX-UHFFFAOYSA-N |
| Mol Weight | 314.3 g/mol |
| Molecular Formula | C15H14N4O4 |
| Exact Mass | 314.101505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1kSl6dQSIg |
|---|---|
| Name | Flavin-10-acetic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.101504943 u |
| Formula | C15H14N4O4 |
| InChI | InChI=1S/C15H14N4O4/c1-7-4-9-10(5-8(7)2)19(6-11(20)23-3)13-12(16-9)14(21)18-15(22)17-13/h4-5H,6H2,1-3H3,(H,18,21,22) |
| InChIKey | UXSBUDSTALBZEX-UHFFFAOYSA-N |
| Molecular Weight | 314.301 g/mol |
| SMILES | C1(=CC2=C(C=C1C)N=C1C(N2CC(OC)=O)=NC(NC1=O)=O)C |