| SpectraBase Compound ID | D0HscNr4i5A |
|---|---|
| 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-XSBVVTFOSA-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 | F7Zt2VmuOU7 |
|---|---|
| Name | Methyl 14-(Phenyl)aminodehydroabietate |
| Appearance | White crystals |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.266779369 u |
| 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-XSBVVTFOSA-N |
| Instrument Name | Kratos MS 25RF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np000501y |
| Molecular Weight | 405.582 g/mol |
| SMILES | N(C=1C(=CC=C2C1CC[C@@]1([C@@]2(CCC[C@@]1(C)C(=O)OC)C)[H])C(C)C)C1=CC=CC=C1 |
| SPLASH | splash10-0a4i-0003900000-643078cc6ae763f175e4 |
| Source of Spectrum | G4-64-766-22 (DOI: 10.1021/np000501y) |
| Wiley ID | 1892566 |