| SpectraBase Compound ID | Bmmvx0ftXPS |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-2-3-8-15-12(14)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | MMLFPGZTRUZTEV-UHFFFAOYSA-N |
| Mol Weight | 271.15 g/mol |
| Molecular Formula | C12H15BrO2 |
| Exact Mass | 270.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Fz4SogrzsC |
|---|---|
| Name | N-Butyl 2-(4-bromophenyl)acetate |
| 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/c1-2-3-8-15-12(14)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | MMLFPGZTRUZTEV-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)Br)CC(=O)OCCCC |