| SpectraBase Compound ID | 6CDDnfmCVmU |
|---|---|
| InChI | InChI=1S/C17H23BrO4/c1-2-21-16(19)14-10-6-7-11-15(14)17(20)22-13-9-5-3-4-8-12-18/h6-7,10-11H,2-5,8-9,12-13H2,1H3 |
| InChIKey | MUGGLSNBJCYIQC-UHFFFAOYSA-N |
| Mol Weight | 371.27 g/mol |
| Molecular Formula | C17H23BrO4 |
| Exact Mass | 370.077972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mlA1PloVSv |
|---|---|
| Name | Phthalic acid, 7-bromoheptyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.077972217 u |
| Formula | C17H23BrO4 |
| InChI | InChI=1S/C17H23BrO4/c1-2-21-16(19)14-10-6-7-11-15(14)17(20)22-13-9-5-3-4-8-12-18/h6-7,10-11H,2-5,8-9,12-13H2,1H3 |
| InChIKey | MUGGLSNBJCYIQC-UHFFFAOYSA-N |
| Molecular Weight | 371.271 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OCC)=O)C(OCCCCCCCBr)=O |