| SpectraBase Compound ID | KCXASMRLCWX |
|---|---|
| InChI | InChI=1S/C15H15NO6/c1-3-11(2)21-14(17)8-5-9-15(18)22-13-7-4-6-12(10-13)16(19)20/h1,4,6-7,10-11H,5,8-9H2,2H3 |
| InChIKey | ZVNQWBTVORBLKB-UHFFFAOYSA-N |
| Mol Weight | 305.29 g/mol |
| Molecular Formula | C15H15NO6 |
| Exact Mass | 305.089937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Xokk6xG4oV |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.089937201 u |
| Formula | C15H15NO6 |
| InChI | InChI=1S/C15H15NO6/c1-3-11(2)21-14(17)8-5-9-15(18)22-13-7-4-6-12(10-13)16(19)20/h1,4,6-7,10-11H,5,8-9H2,2H3 |
| InChIKey | ZVNQWBTVORBLKB-UHFFFAOYSA-N |
| Molecular Weight | 305.286 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O |