![Phenol, 2-methyl-o-[5-bromo-N-pentyl]-](/api/spectrum/Eb3UTg349cI/structure.png?h=300&w=458 "Phenol, 2-methyl-o-[5-bromo-N-pentyl]-")
| SpectraBase Compound ID | F9liZ3bcNCG |
|---|---|
| InChI | InChI=1S/C12H17BrO/c1-11-7-3-4-8-12(11)14-10-6-2-5-9-13/h3-4,7-8H,2,5-6,9-10H2,1H3 |
| InChIKey | VISZKYKRBYLOQA-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 | Eb3UTg349cI |
|---|---|
| Name | Phenol, 2-methyl-o-[5-bromo-N-pentyl]- |
| 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/c1-11-7-3-4-8-12(11)14-10-6-2-5-9-13/h3-4,7-8H,2,5-6,9-10H2,1H3 |
| InChIKey | VISZKYKRBYLOQA-UHFFFAOYSA-N |
| Molecular Weight | 257.171 g/mol |
| SMILES | C1=C(C(=CC=C1)C)OCCCCCBr |