| SpectraBase Compound ID | 37zaZoO3GT3 |
|---|---|
| InChI | InChI=1S/C14H15NO4/c1-3-5-13(4-2)19-14(16)10-11-6-8-12(9-7-11)15(17)18/h6-9,13H,4,10H2,1-2H3 |
| InChIKey | CWTZQCPCVHRDLA-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C14H15NO4 |
| Exact Mass | 261.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uqQC21IlC6 |
|---|---|
| Name | Benzeneacetic acid, 4-nitro-, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.100107963 u |
| Formula | C14H15NO4 |
| InChI | InChI=1S/C14H15NO4/c1-3-5-13(4-2)19-14(16)10-11-6-8-12(9-7-11)15(17)18/h6-9,13H,4,10H2,1-2H3 |
| InChIKey | CWTZQCPCVHRDLA-UHFFFAOYSA-N |
| Molecular Weight | 261.277 g/mol |
| SMILES | C(OC(CC)C#CC)(CC=1C=CC(=CC1)N(=O)=O)=O |