| SpectraBase Compound ID | 7asULgBsma4 |
|---|---|
| InChI | InChI=1S/C9H9NO4/c1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h1H,3-6H2 |
| InChIKey | VLQOCPXVAZTWQR-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZyHpohRwyF |
|---|---|
| Name | 4-Pentynoic acid succinimidyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.053157770 u |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h1H,3-6H2 |
| InChIKey | VLQOCPXVAZTWQR-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | C(CCC#C)(=O)ON1C(=O)CCC1=O |