| SpectraBase Compound ID | FRVlqT83StF |
|---|---|
| InChI | InChI=1S/C17H19NO6/c1-3-7-14(4-2)23-16(19)10-6-11-17(20)24-15-9-5-8-13(12-15)18(21)22/h5,8-9,12,14H,4,6,10-11H2,1-2H3 |
| InChIKey | MBBHEXSCJYOELS-UHFFFAOYSA-N |
| Mol Weight | 333.34 g/mol |
| Molecular Formula | C17H19NO6 |
| Exact Mass | 333.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64ZU09JkJuv |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.121237330 u |
| Formula | C17H19NO6 |
| InChI | InChI=1S/C17H19NO6/c1-3-7-14(4-2)23-16(19)10-6-11-17(20)24-15-9-5-8-13(12-15)18(21)22/h5,8-9,12,14H,4,6,10-11H2,1-2H3 |
| InChIKey | MBBHEXSCJYOELS-UHFFFAOYSA-N |
| Molecular Weight | 333.340 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O |