| SpectraBase Compound ID | 8tFVErAoxKb |
|---|---|
| InChI | InChI=1S/C17H20O5/c1-5-13(4)21-16(18)10-11-17(19)22-15-9-7-6-8-14(15)20-12(2)3/h1,6-9,12-13H,10-11H2,2-4H3 |
| InChIKey | NUKNIFPVDVNUCG-UHFFFAOYSA-N |
| Mol Weight | 304.34 g/mol |
| Molecular Formula | C17H20O5 |
| Exact Mass | 304.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mbauQLWi2A |
|---|---|
| Name | Succinic acid, but-3-yn-2-yl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.131073739 u |
| Formula | C17H20O5 |
| InChI | InChI=1S/C17H20O5/c1-5-13(4)21-16(18)10-11-17(19)22-15-9-7-6-8-14(15)20-12(2)3/h1,6-9,12-13H,10-11H2,2-4H3 |
| InChIKey | NUKNIFPVDVNUCG-UHFFFAOYSA-N |
| Molecular Weight | 304.342 g/mol |
| SMILES | C(CC(OC(C#C)C)=O)C(OC=1C=CC=CC1OC(C)C)=O |