| SpectraBase Compound ID | Fy0HJZML9L9 |
|---|---|
| InChI | InChI=1S/C18H17BrO4/c1-2-3-12-17(20)22-15-10-6-7-11-16(15)23-18(21)13-8-4-5-9-14(13)19/h4-11H,2-3,12H2,1H3 |
| InChIKey | UJZHBYFZUAQWRK-UHFFFAOYSA-N |
| Mol Weight | 377.23 g/mol |
| Molecular Formula | C18H17BrO4 |
| Exact Mass | 376.031022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1PKorfrCpKj |
|---|---|
| Name | 1,2-Benzenediol, o-(2-brombenzoyl)-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/c1-2-3-12-17(20)22-15-10-6-7-11-16(15)23-18(21)13-8-4-5-9-14(13)19/h4-11H,2-3,12H2,1H3 |
| InChIKey | UJZHBYFZUAQWRK-UHFFFAOYSA-N |
| Molecular Weight | 377.234 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)CCCC)OC(C1=CC=CC=C1Br)=O |