| SpectraBase Compound ID | 8X2RhhLc9b1 |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-12(2)13-8-6-7-11-16(13)22-18(20)15-10-5-4-9-14(15)17(19)21-3/h4-12H,1-3H3 |
| InChIKey | AKMGDTMKQDDQNP-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 | 4FBANMrLXZl |
|---|---|
| Name | Phthalic acid, 2-isopropylphenyl methyl 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)13-8-6-7-11-16(13)22-18(20)15-10-5-4-9-14(15)17(19)21-3/h4-12H,1-3H3 |
| InChIKey | AKMGDTMKQDDQNP-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1)C(OC)=O)C(OC1=C(C(C)C)C=CC=C1)=O |