| SpectraBase Compound ID | 8c9jPCaLqup |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-16(15-9-6-5-7-10-15)22-18(20)12-8-11-17(19)21-13-14(2)3/h5-7,9-10,14,16H,4,8,11-13H2,1-3H3 |
| InChIKey | WCHRCTSVLIGPMM-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 | Bu3vN3qajUL |
|---|---|
| Name | Glutaric acid, isobutyl 1-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/c1-4-16(15-9-6-5-7-10-15)22-18(20)12-8-11-17(19)21-13-14(2)3/h5-7,9-10,14,16H,4,8,11-13H2,1-3H3 |
| InChIKey | WCHRCTSVLIGPMM-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCC(OC(=O)CCCC(OCC(C)C)=O)C1=CC=CC=C1 |