| SpectraBase Compound ID | H2R9cEXbGae |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-3-4-5-6-9-15-23-18(20)13-10-14-19(21)24-17-12-8-7-11-16(17)22-2/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3 |
| InChIKey | RYVARAIGEPEAHG-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5x8HCRpQS98 |
|---|---|
| Name | Glutaric acid, heptyl 2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-3-4-5-6-9-15-23-18(20)13-10-14-19(21)24-17-12-8-7-11-16(17)22-2/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3 |
| InChIKey | RYVARAIGEPEAHG-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | CCCCCCCOC(CCCC(OC1=CC=CC=C1OC)=O)=O |