| SpectraBase Compound ID | 681StYsU3gi |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-12(2)21-17(19)15-9-4-5-10-16(15)18(20)22-14-8-6-7-13(3)11-14/h4-12H,1-3H3 |
| InChIKey | VOXAWWNZVPMPEG-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 | KmRd5IKAj1T |
|---|---|
| Name | Phthalic acid, 3-methylphenyl 2-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/c1-12(2)21-17(19)15-9-4-5-10-16(15)18(20)22-14-8-6-7-13(3)11-14/h4-12H,1-3H3 |
| InChIKey | VOXAWWNZVPMPEG-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(OC(C)C)=O)C(OC1=CC(C)=CC=C1)=O |