| SpectraBase Compound ID | 2Ld3rGEph1R |
|---|---|
| InChI | InChI=1S/C21H31ClO4/c1-3-4-5-6-7-8-9-10-15-25-20(23)18-11-13-19(14-12-18)21(24)26-16-17(2)22/h11-14,17H,3-10,15-16H2,1-2H3 |
| InChIKey | AUHPJSKSQHHXHG-UHFFFAOYSA-N |
| Mol Weight | 382.93 g/mol |
| Molecular Formula | C21H31ClO4 |
| Exact Mass | 382.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrWAHek3oia |
|---|---|
| Name | Terephthalic acid, 2-chloropropyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.191087174 u |
| Formula | C21H31ClO4 |
| InChI | InChI=1S/C21H31ClO4/c1-3-4-5-6-7-8-9-10-15-25-20(23)18-11-13-19(14-12-18)21(24)26-16-17(2)22/h11-14,17H,3-10,15-16H2,1-2H3 |
| InChIKey | AUHPJSKSQHHXHG-UHFFFAOYSA-N |
| Molecular Weight | 382.928 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCCCCCCCCCC)=O |