| SpectraBase Compound ID | sQtq1Y8ZZB |
|---|---|
| InChI | InChI=1S/C19H19BrO4/c1-2-12-23-18(21)16-5-3-4-6-17(16)19(22)24-13-11-14-7-9-15(20)10-8-14/h3-10H,2,11-13H2,1H3 |
| InChIKey | YSWLNYQQTGRURE-UHFFFAOYSA-N |
| Mol Weight | 391.26 g/mol |
| Molecular Formula | C19H19BrO4 |
| Exact Mass | 390.046672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Kaet1owrL9 |
|---|---|
| Name | Phthalic acid, 2-(4-bromophenyl)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.046672088 u |
| Formula | C19H19BrO4 |
| InChI | InChI=1S/C19H19BrO4/c1-2-12-23-18(21)16-5-3-4-6-17(16)19(22)24-13-11-14-7-9-15(20)10-8-14/h3-10H,2,11-13H2,1H3 |
| InChIKey | YSWLNYQQTGRURE-UHFFFAOYSA-N |
| Molecular Weight | 391.261 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCCC1=CC=C(C=C1)Br)=O)(OCCC)=O |