| SpectraBase Compound ID | 7afZEplYbfu |
|---|---|
| InChI | InChI=1S/C13H15ClO3/c1-3-11(4-2)17-13(16)10-7-5-6-9(8-10)12(14)15/h5-8,11H,3-4H2,1-2H3 |
| InChIKey | KQOCLGUSROMOTH-UHFFFAOYSA-N |
| Mol Weight | 254.71 g/mol |
| Molecular Formula | C13H15ClO3 |
| Exact Mass | 254.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20kMNGuPmal |
|---|---|
| Name | Isophthalic acid monochloride, 3-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.070972040 u |
| Formula | C13H15ClO3 |
| InChI | InChI=1S/C13H15ClO3/c1-3-11(4-2)17-13(16)10-7-5-6-9(8-10)12(14)15/h5-8,11H,3-4H2,1-2H3 |
| InChIKey | KQOCLGUSROMOTH-UHFFFAOYSA-N |
| Molecular Weight | 254.713 g/mol |
| SMILES | CCC(CC)OC(C1=CC(=CC=C1)C(Cl)=O)=O |