| SpectraBase Compound ID | 6b0GKMpmhxs |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-3-10-21-17(19)14-7-5-8-15(12-14)18(20)22-16-9-4-6-13(2)11-16/h4-9,11-12H,3,10H2,1-2H3 |
| InChIKey | RVVCXMLSERZZPH-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 | Bf0c7wRbXI0 |
|---|---|
| Name | Isophthalic acid, 3-methylphenyl propyl 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/c1-3-10-21-17(19)14-7-5-8-15(12-14)18(20)22-16-9-4-6-13(2)11-16/h4-9,11-12H,3,10H2,1-2H3 |
| InChIKey | RVVCXMLSERZZPH-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1)C)OC(C1=CC(=CC=C1)C(OCCC)=O)=O |