| SpectraBase Compound ID | 2sCXsVpQz4E |
|---|---|
| InChI | InChI=1S/C18H17BrO4/c1-2-3-11-17(20)22-13-7-6-8-14(12-13)23-18(21)15-9-4-5-10-16(15)19/h4-10,12H,2-3,11H2,1H3 |
| InChIKey | WKUVUPMESZDOEI-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 | BPKNkaIxiKg |
|---|---|
| Name | 1,3-Benzenediol, o-(2-bromobenzoyl)-o'-valeryl- |
| 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/c1-2-3-11-17(20)22-13-7-6-8-14(12-13)23-18(21)15-9-4-5-10-16(15)19/h4-10,12H,2-3,11H2,1H3 |
| InChIKey | WKUVUPMESZDOEI-UHFFFAOYSA-N |
| Molecular Weight | 377.234 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(C1=CC=CC=C1Br)=O)OC(=O)CCCC |