| SpectraBase Compound ID | JOsRLkWxxLe |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8H,2-3,6,9H2,1H3 |
| InChIKey | RXAWMDUZAVYLDC-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 | 8UudPhWxv9h |
|---|---|
| Name | 2-Bromobenzoic acid, pentyl 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/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8H,2-3,6,9H2,1H3 |
| InChIKey | RXAWMDUZAVYLDC-UHFFFAOYSA-N |
| SMILES | C1=CC(C(OCCCCC)=O)=C(C=C1)Br |