| SpectraBase Compound ID | FDOWoM4w8Gf |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-2-12-21-16(19)6-4-3-5-7-17(20)22-15-10-8-14(13-18)9-11-15/h8-11,13H,2-7,12H2,1H3 |
| InChIKey | ZAFFGGRYMPLDKV-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASQcKiflgMI |
|---|---|
| Name | Pimelic acid, 4-formylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.146723803 u |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-2-12-21-16(19)6-4-3-5-7-17(20)22-15-10-8-14(13-18)9-11-15/h8-11,13H,2-7,12H2,1H3 |
| InChIKey | ZAFFGGRYMPLDKV-UHFFFAOYSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C=O)(=O)CCCCCC(OCCC)=O |