| SpectraBase Compound ID | 3PTXi6aAHjc |
|---|---|
| InChI | InChI=1S/C27H35NO2/c1-18(2)20-12-14-22-21(24(20)28-19-10-7-6-8-11-19)13-15-23-26(22,3)16-9-17-27(23,4)25(29)30-5/h6-8,10-12,14,18,23,28H,9,13,15-17H2,1-5H3/t23?,26-,27-/m1/s1 |
| InChIKey | YQENRUVYCDNJEW-NQZVWMNDSA-N |
| Mol Weight | 405.6 g/mol |
| Molecular Formula | C27H35NO2 |
| Exact Mass | 405.266779 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GfNnGO1oUZk |
|---|---|
| Name | Methyl 14-[phenylamino]-dehydroabietate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H35NO2 |
| InChI | InChI=1S/C27H35NO2/c1-18(2)20-12-14-22-21(24(20)28-19-10-7-6-8-11-19)13-15-23-26(22,3)16-9-17-27(23,4)25(29)30-5/h6-8,10-12,14,18,23,28H,9,13,15-17H2,1-5H3/t23?,26-,27-/m1/s1 |
| InChIKey | YQENRUVYCDNJEW-NQZVWMNDSA-N |
| Molecular Weight | 405.582 g/mol |
| SMILES | N(c1c2c([C@@]3(C([C@@](C(=O)OC)(C)CCC3)CC2)C)ccc1C(C)C)c1ccccc1 |
| SPLASH | splash10-0a4i-0003900000-54c6dd44f92a1b176f16 |
| Source of Spectrum | G4-64-766-22 |
| Wiley ID | 1609015 |