| SpectraBase Compound ID | 7SaEEzUfiTR |
|---|---|
| InChI | InChI=1S/C17H15BrO4/c1-11-6-5-7-13(10-11)17(20)22-15-9-4-3-8-14(15)21-16(19)12(2)18/h3-10,12H,1-2H3 |
| InChIKey | MQSFHTOWVBAWCD-UHFFFAOYSA-N |
| Mol Weight | 363.21 g/mol |
| Molecular Formula | C17H15BrO4 |
| Exact Mass | 362.015372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8Xx7RRbBJP |
|---|---|
| Name | 1,2-Benzenediol, o-(2-bromopropionyl)-o'-(3-methylbenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.015371959 u |
| Formula | C17H15BrO4 |
| InChI | InChI=1S/C17H15BrO4/c1-11-6-5-7-13(10-11)17(20)22-15-9-4-3-8-14(15)21-16(19)12(2)18/h3-10,12H,1-2H3 |
| InChIKey | MQSFHTOWVBAWCD-UHFFFAOYSA-N |
| Molecular Weight | 363.207 g/mol |
| SMILES | CC1=CC=CC(=C1)C(OC=1C(=CC=CC1)OC(C(Br)C)=O)=O |