| SpectraBase Compound ID | FHSZ4nu9TFJ |
|---|---|
| InChI | InChI=1S/C17H17BrO2/c1-11(2)15-9-4-12(3)10-16(15)20-17(19)13-5-7-14(18)8-6-13/h4-11H,1-3H3 |
| InChIKey | RFAXEEHHHOCKDG-UHFFFAOYSA-N |
| Mol Weight | 333.23 g/mol |
| Molecular Formula | C17H17BrO2 |
| Exact Mass | 332.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8a1cdReIej |
|---|---|
| Name | Benzoic acid, 4-bromo-, (2-isopropyl-5-methylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.041192785 u |
| Formula | C17H17BrO2 |
| InChI | InChI=1S/C17H17BrO2/c1-11(2)15-9-4-12(3)10-16(15)20-17(19)13-5-7-14(18)8-6-13/h4-11H,1-3H3 |
| InChIKey | RFAXEEHHHOCKDG-UHFFFAOYSA-N |
| Molecular Weight | 333.225 g/mol |
| SMILES | C1(OC(C2=CC=C(C=C2)Br)=O)=C(C=CC(=C1)C)C(C)C |