| SpectraBase Compound ID | A4JiINO5Fcr |
|---|---|
| InChI | InChI=1S/C11H11ClO3/c1-2-6-15-11(14)9-5-3-4-8(7-9)10(12)13/h3-5,7H,2,6H2,1H3 |
| InChIKey | WGWOZSSAHCREGI-UHFFFAOYSA-N |
| Mol Weight | 226.66 g/mol |
| Molecular Formula | C11H11ClO3 |
| Exact Mass | 226.039672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JmWKnVqe1Jg |
|---|---|
| Name | Isophthalic acid monochloride, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.039671911 u |
| Formula | C11H11ClO3 |
| InChI | InChI=1S/C11H11ClO3/c1-2-6-15-11(14)9-5-3-4-8(7-9)10(12)13/h3-5,7H,2,6H2,1H3 |
| InChIKey | WGWOZSSAHCREGI-UHFFFAOYSA-N |
| Molecular Weight | 226.659 g/mol |
| SMILES | CCCOC(C1=CC(=CC=C1)C(Cl)=O)=O |