| SpectraBase Compound ID | 4zgCNBGbmnm |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-7-14-22-18(20)15-10-12-16(13-11-15)19(21)23-17(8-5-2)9-6-3/h10-13,17H,4-9,14H2,1-3H3 |
| InChIKey | LOONSZGCEVNJPI-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CpZJmIV2Gx |
|---|---|
| Name | Terephthalic acid, butyl 4-heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-7-14-22-18(20)15-10-12-16(13-11-15)19(21)23-17(8-5-2)9-6-3/h10-13,17H,4-9,14H2,1-3H3 |
| InChIKey | LOONSZGCEVNJPI-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC(CCC)CCC)=O)C(OCCCC)=O |