| SpectraBase Compound ID | IyEIQWZECRX |
|---|---|
| InChI | InChI=1S/C19H20O5/c1-3-4-12-23-18(20)14-8-10-15(11-9-14)19(21)24-17-7-5-6-16(13-17)22-2/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey | HXXUYJTYUWDNHU-UHFFFAOYSA-N |
| Mol Weight | 328.36 g/mol |
| Molecular Formula | C19H20O5 |
| Exact Mass | 328.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4jmzkORgRq |
|---|---|
| Name | Terephthalic acid, butyl 3-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.131073739 u |
| Formula | C19H20O5 |
| InChI | InChI=1S/C19H20O5/c1-3-4-12-23-18(20)14-8-10-15(11-9-14)19(21)24-17-7-5-6-16(13-17)22-2/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey | HXXUYJTYUWDNHU-UHFFFAOYSA-N |
| Molecular Weight | 328.364 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(OC1=CC(OC)=CC=C1)=O |