| SpectraBase Compound ID | 89aFeZHPI6G |
|---|---|
| InChI | InChI=1S/C19H18O4/c1-3-14(2)22-18(20)12-7-13-19(21)23-17-11-6-9-15-8-4-5-10-16(15)17/h1,4-6,8-11,14H,7,12-13H2,2H3 |
| InChIKey | NOCVIMGDWCKNBF-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C19H18O4 |
| Exact Mass | 310.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ku5uiQQp51M |
|---|---|
| Name | Glutaric acid, but-3-yl-2-yn 1-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.120509056 u |
| Formula | C19H18O4 |
| InChI | InChI=1S/C19H18O4/c1-3-14(2)22-18(20)12-7-13-19(21)23-17-11-6-9-15-8-4-5-10-16(15)17/h1,4-6,8-11,14H,7,12-13H2,2H3 |
| InChIKey | NOCVIMGDWCKNBF-UHFFFAOYSA-N |
| Molecular Weight | 310.349 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC=1C2=C(C=CC1)C=CC=C2)=O |