| SpectraBase Compound ID | 1zZCfqUMyx5 |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-10-5-4-6-11(9-10)15-12(14)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3 |
| InChIKey | ODJQMFULZXKNIQ-UHFFFAOYSA-N |
| Mol Weight | 271.15 g/mol |
| Molecular Formula | C12H15BrO2 |
| Exact Mass | 270.025543 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 | GbnB1nKRSNU |
|---|---|
| Name | 5-Bromovaleric acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.025542721 u |
| Formula | C12H15BrO2 |
| InChI | InChI=1S/C12H15BrO2/c1-10-5-4-6-11(9-10)15-12(14)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3 |
| InChIKey | ODJQMFULZXKNIQ-UHFFFAOYSA-N |
| SMILES | CC1=CC=CC(=C1)OC(CCCCBr)=O |