| SpectraBase Compound ID | 3mmvHUSZiyw |
|---|---|
| InChI | InChI=1S/C16H19NO6/c1-12(2)10-11-22-15(18)4-3-5-16(19)23-14-8-6-13(7-9-14)17(20)21/h6-10H,3-5,11H2,1-2H3 |
| InChIKey | MJCSEGGICGOWBD-UHFFFAOYSA-N |
| Mol Weight | 321.33 g/mol |
| Molecular Formula | C16H19NO6 |
| Exact Mass | 321.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GJKdnw4pGn |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.121237330 u |
| Formula | C16H19NO6 |
| InChI | InChI=1S/C16H19NO6/c1-12(2)10-11-22-15(18)4-3-5-16(19)23-14-8-6-13(7-9-14)17(20)21/h6-10H,3-5,11H2,1-2H3 |
| InChIKey | MJCSEGGICGOWBD-UHFFFAOYSA-N |
| Molecular Weight | 321.329 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC1=CC=C(C=C1)N(=O)=O)=O |