| SpectraBase Compound ID | IioRLdev254 |
|---|---|
| InChI | InChI=1S/C26H32BrNO/c1-4-5-25-24-12-6-18-16-21(29-3)11-13-22(18)23(24)14-15-26(25,2)17-28-20-9-7-19(27)8-10-20/h7-11,13,16,25,28H,4-6,12,14-15,17H2,1-3H3/t25-,26+/m0/s1 |
| InChIKey | MXPHLFPAESSHKW-IZZNHLLZSA-N |
| Mol Weight | 454.5 g/mol |
| Molecular Formula | C26H32BrNO |
| Exact Mass | 453.166728 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6xfMUMuSWbT |
|---|---|
| Name | 2-Methoxy-7-methyl-7-(4-bromoanilinomethyl)-8-propylhexahydrophenanthrene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H32BrNO |
| InChI | InChI=1S/C26H32BrNO/c1-4-5-25-24-12-6-18-16-21(29-3)11-13-22(18)23(24)14-15-26(25,2)17-28-20-9-7-19(27)8-10-20/h7-11,13,16,25,28H,4-6,12,14-15,17H2,1-3H3/t25-,26+/m0/s1 |
| InChIKey | MXPHLFPAESSHKW-IZZNHLLZSA-N |
| Molecular Weight | 454.452 g/mol |
| SMILES | N(C[C@]1(CCC2=C([C@@]1(CCC)[H])CCc1c2ccc(OC)c1)C)c1ccc(cc1)Br |
| SPLASH | splash10-0udi-0190500000-3dfbd01d9d76f0877efc |
| Source of Spectrum | K1-2004-96-69 |
| Wiley ID | 1560099 |