| SpectraBase Compound ID | FnkxZ2qV9Wo |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-3-4-5-10-18-14(16)12-8-6-11(7-9-12)13(15)17-2/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | ZIBVHEUSFGTSTG-UHFFFAOYSA-N |
| Mol Weight | 250.29 g/mol |
| Molecular Formula | C14H18O4 |
| Exact Mass | 250.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4X2NYQzUjd |
|---|---|
| Name | Terephthalic acid, pentyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.120509056 u |
| Formula | C14H18O4 |
| InChI | InChI=1S/C14H18O4/c1-3-4-5-10-18-14(16)12-8-6-11(7-9-12)13(15)17-2/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | ZIBVHEUSFGTSTG-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | C1=CC(=CC=C1C(OC)=O)C(OCCCCC)=O |