| SpectraBase Compound ID | 659Aw4KJmcR |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-3-11-21-17(19)15-9-4-5-10-16(15)18(20)22-14-8-6-7-13(2)12-14/h4-10,12H,3,11H2,1-2H3 |
| InChIKey | OLVKVBGATZFFFE-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 | AsEoIe6eh0b |
|---|---|
| Name | Phthalic 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/c1-3-11-21-17(19)15-9-4-5-10-16(15)18(20)22-14-8-6-7-13(2)12-14/h4-10,12H,3,11H2,1-2H3 |
| InChIKey | OLVKVBGATZFFFE-UHFFFAOYSA-N |
| SMILES | C(OC1=CC=CC(C)=C1)(=O)C1=C(C=CC=C1)C(OCCC)=O |