| SpectraBase Compound ID | IJiyGEAcs7A |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-2-3-6-12-23-18(21)16-10-4-5-11-17(16)19(22)24-15-9-7-8-14(20)13-15/h4-5,7-11,13H,2-3,6,12H2,1H3 |
| InChIKey | YBUMXRZQUZCHET-UHFFFAOYSA-N |
| Mol Weight | 346.81 g/mol |
| Molecular Formula | C19H19ClO4 |
| Exact Mass | 346.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42OyEkgkP3t |
|---|---|
| Name | Phthalic acid, 3-chlorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.097186788 u |
| Formula | C19H19ClO4 |
| InChI | InChI=1S/C19H19ClO4/c1-2-3-6-12-23-18(21)16-10-4-5-11-17(16)19(22)24-15-9-7-8-14(20)13-15/h4-5,7-11,13H,2-3,6,12H2,1H3 |
| InChIKey | YBUMXRZQUZCHET-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | C1=C(C=CC=C1Cl)OC(C1=C(C=CC=C1)C(=O)OCCCCC)=O |