| SpectraBase Compound ID | 6dwmOd0FMlO |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-2-3-7-14-23-18(21)8-5-4-6-9-19(22)24-17-12-10-16(15-20)11-13-17/h10-13,15H,2-9,14H2,1H3 |
| InChIKey | NBDXCBLWLJLSAF-UHFFFAOYSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPnCYi5Wihb |
|---|---|
| Name | Pimelic acid, 4-formylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-2-3-7-14-23-18(21)8-5-4-6-9-19(22)24-17-12-10-16(15-20)11-13-17/h10-13,15H,2-9,14H2,1H3 |
| InChIKey | NBDXCBLWLJLSAF-UHFFFAOYSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C=O)(=O)CCCCCC(OCCCCC)=O |