| SpectraBase Compound ID | FaNvMR3fd8z |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-2-3-12-21-17(19)14-8-7-9-15(13-14)18(20)22-16-10-5-4-6-11-16/h4-11,13H,2-3,12H2,1H3 |
| InChIKey | QHXOZNQXFANSFA-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gq1d03Zq8C3 |
|---|---|
| Name | Isophthalic acid, butyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-2-3-12-21-17(19)14-8-7-9-15(13-14)18(20)22-16-10-5-4-6-11-16/h4-11,13H,2-3,12H2,1H3 |
| InChIKey | QHXOZNQXFANSFA-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCCCC)=O)(OC1=CC=CC=C1)=O |