| SpectraBase Compound ID | CCxuDecLzIu |
|---|---|
| InChI | InChI=1S/C28H38N2O3/c1-17(2)24-21(30-20-10-7-8-11-22(20)32-5)16-19-18(25(24)29)12-13-23-27(19,3)14-9-15-28(23,4)26(31)33-6/h7-8,10-11,16-17,23,30H,9,12-15,29H2,1-6H3/t23-,27-,28-/m1/s1 |
| InChIKey | PMFNJXXQOKAYQK-XTBZXYEFSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C28H38N2O3 |
| Exact Mass | 450.288243 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ByW9SNcoAti |
|---|---|
| Name | Methyl 12-(2-Methoxyphenyl)amino-14-aminodehydroabietae |
| Appearance | White amorphous solid |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.288243089 u |
| Formula | C28H38N2O3 |
| InChI | InChI=1S/C28H38N2O3/c1-17(2)24-21(30-20-10-7-8-11-22(20)32-5)16-19-18(25(24)29)12-13-23-27(19,3)14-9-15-28(23,4)26(31)33-6/h7-8,10-11,16-17,23,30H,9,12-15,29H2,1-6H3/t23-,27-,28-/m1/s1 |
| InChIKey | PMFNJXXQOKAYQK-XTBZXYEFSA-N |
| Instrument Name | Kratos MS 25RF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np000501y |
| Molecular Weight | 450.623 g/mol |
| SMILES | N(C1=CC=CC=C1OC)C1=C(C(=C2C(=C1)[C@@]1([C@@](CC2)([C@](CCC1)(C)C(=O)OC)[H])C)N)C(C)C |
| SPLASH | splash10-0udi-0000900000-d392c7830419da14b9f4 |
| Source of Spectrum | G4-64-765-14 (DOI: 10.1021/np000501y) |
| Wiley ID | 1892558 |