| SpectraBase Compound ID | 6cSstql5rJV |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-3-4-5-6-7-8-11-17-25-20(22)15-12-16-21(23)26-19-14-10-9-13-18(19)24-2/h9-10,13-14H,3-8,11-12,15-17H2,1-2H3 |
| InChIKey | HLSODGABIADTPZ-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 45EVDnoHQu9 |
|---|---|
| Name | Glutaric acid, 2-methoxyphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.224974125 u |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-3-4-5-6-7-8-11-17-25-20(22)15-12-16-21(23)26-19-14-10-9-13-18(19)24-2/h9-10,13-14H,3-8,11-12,15-17H2,1-2H3 |
| InChIKey | HLSODGABIADTPZ-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | CCCCCCCCCOC(CCCC(OC1=CC=CC=C1OC)=O)=O |