![2-{4-[(1-Adamantylamino)methyl]-5-bromo-2-methoxyphenoxy}acetamide](/api/spectrum/7NgGFFT4Hhb/structure.png?h=300&w=458 "2-{4-[(1-Adamantylamino)methyl]-5-bromo-2-methoxyphenoxy}acetamide")
| SpectraBase Compound ID | AHNJ0rlSeMX |
|---|---|
| InChI | InChI=1S/C20H27BrN2O3/c1-25-17-5-15(16(21)6-18(17)26-11-19(22)24)10-23-20-7-12-2-13(8-20)4-14(3-12)9-20/h5-6,12-14,23H,2-4,7-11H2,1H3,(H2,22,24)/t12-,13+,14-,20- |
| InChIKey | BEIBRRIZIFYNAL-OYEQCZOJSA-N |
| Mol Weight | 423.35 g/mol |
| Molecular Formula | C20H27BrN2O3 |
| Exact Mass | 422.120506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NgGFFT4Hhb |
|---|---|
| Name | 2-{4-[(1-Adamantylamino)methyl]-5-bromo-2-methoxyphenoxy}acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.120505734 u |
| Formula | C20H27BrN2O3 |
| InChI | InChI=1S/C20H27BrN2O3/c1-25-17-5-15(16(21)6-18(17)26-11-19(22)24)10-23-20-7-12-2-13(8-20)4-14(3-12)9-20/h5-6,12-14,23H,2-4,7-11H2,1H3,(H2,22,24)/t12-,13+,14-,20- |
| InChIKey | BEIBRRIZIFYNAL-OYEQCZOJSA-N |
| Molecular Weight | 423.351 g/mol |
| SMILES | N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CC1=CC(=C(OCC(=O)N)C=C1Br)OC |