| SpectraBase Compound ID | 5DxJoe9qO0e |
|---|---|
| InChI | InChI=1S/C12H17BrO/c1-3-10(2)8-14-9-11-5-4-6-12(13)7-11/h4-7,10H,3,8-9H2,1-2H3 |
| InChIKey | WCAWXVMMBFEHER-UHFFFAOYSA-N |
| Mol Weight | 257.17 g/mol |
| Molecular Formula | C12H17BrO |
| Exact Mass | 256.046278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8macY6NHp9K |
|---|---|
| Name | 3-Bromobenzyl alcohol, 2-methylbutyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.046278166 u |
| Formula | C12H17BrO |
| InChI | InChI=1S/C12H17BrO/c1-3-10(2)8-14-9-11-5-4-6-12(13)7-11/h4-7,10H,3,8-9H2,1-2H3 |
| InChIKey | WCAWXVMMBFEHER-UHFFFAOYSA-N |
| Molecular Weight | 257.171 g/mol |
| SMILES | C1=C(C=CC=C1COCC(CC)C)Br |