| SpectraBase Compound ID | L48mqIShzbK |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-3-4-13-22-18(20)15-10-6-7-11-16(15)19(21)23-17-12-8-5-9-14(17)2/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | AQWNSYUKCICYBC-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1wNt8u8XVsV |
|---|---|
| Name | Phthalic acid, butyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-3-4-13-22-18(20)15-10-6-7-11-16(15)19(21)23-17-12-8-5-9-14(17)2/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | AQWNSYUKCICYBC-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C1=C(C(=CC=C1)C)OC(C1=C(C=CC=C1)C(=O)OCCCC)=O |