| SpectraBase Compound ID | 4yKfiICtDEC |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-2-3-14-21-17(19)12-7-13-18(20)22-15-8-11-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3 |
| InChIKey | GTOIZVVEVSFBLT-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3hNSGbI4an |
|---|---|
| Name | Glutaric acid, butyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-2-3-14-21-17(19)12-7-13-18(20)22-15-8-11-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3 |
| InChIKey | GTOIZVVEVSFBLT-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCCCOC(CCCC(OCCCC1=CC=CC=C1)=O)=O |