| SpectraBase Compound ID | FCseMpsjXO7 |
|---|---|
| InChI | InChI=1S/C18H17BrO4/c1-2-22-17(20)15-5-3-4-6-16(15)18(21)23-12-11-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3 |
| InChIKey | HVJZURGCCDUWNR-UHFFFAOYSA-N |
| Mol Weight | 377.23 g/mol |
| Molecular Formula | C18H17BrO4 |
| Exact Mass | 376.031022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASAu1xcBw0n |
|---|---|
| Name | Phthalic acid, 2-(4-bromophenyl)ethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.031022023 u |
| Formula | C18H17BrO4 |
| InChI | InChI=1S/C18H17BrO4/c1-2-22-17(20)15-5-3-4-6-16(15)18(21)23-12-11-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3 |
| InChIKey | HVJZURGCCDUWNR-UHFFFAOYSA-N |
| Molecular Weight | 377.234 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCCC1=CC=C(C=C1)Br)=O)(OCC)=O |