| SpectraBase Compound ID | 72G2L2A9rZR |
|---|---|
| InChI | InChI=1S/C16H17NO6/c1-3-6-13(4-2)22-15(18)9-10-16(19)23-14-8-5-7-12(11-14)17(20)21/h5,7-8,11,13H,4,9-10H2,1-2H3 |
| InChIKey | BDCGPQGBSSSLQB-UHFFFAOYSA-N |
| Mol Weight | 319.31 g/mol |
| Molecular Formula | C16H17NO6 |
| Exact Mass | 319.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7FP6I3WoxkA |
|---|---|
| Name | Succinic 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 | 319.105587265 u |
| Formula | C16H17NO6 |
| InChI | InChI=1S/C16H17NO6/c1-3-6-13(4-2)22-15(18)9-10-16(19)23-14-8-5-7-12(11-14)17(20)21/h5,7-8,11,13H,4,9-10H2,1-2H3 |
| InChIKey | BDCGPQGBSSSLQB-UHFFFAOYSA-N |
| Molecular Weight | 319.313 g/mol |
| SMILES | C(CC(OC(CC)C#CC)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O |