| SpectraBase Compound ID | 6vQOdxryV7A |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-4-7-12-19-15(17)10-11-16(18)20-14-9-6-5-8-13(14)2/h5-6,8-9H,3-4,7,10-12H2,1-2H3 |
| InChIKey | XFEFZRDOCGAZFT-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NyyxovBcXx |
|---|---|
| Name | Succinic acid, 2-methylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-3-4-7-12-19-15(17)10-11-16(18)20-14-9-6-5-8-13(14)2/h5-6,8-9H,3-4,7,10-12H2,1-2H3 |
| InChIKey | XFEFZRDOCGAZFT-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(CCC(OC=1C=CC=CC1C)=O)(OCCCCC)=O |