| SpectraBase Compound ID | DjBf7BLCSUI |
|---|---|
| InChI | InChI=1S/C27H36N2O2/c1-17(2)23-21(29-18-10-7-6-8-11-18)16-20-19(24(23)28)12-13-22-26(20,3)14-9-15-27(22,4)25(30)31-5/h6-8,10-11,16-17,22,29H,9,12-15,28H2,1-5H3/t22-,26-,27-/m1/s1 |
| InChIKey | MQNFNPWXXHCXHN-GDKKVTFASA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C27H36N2O2 |
| Exact Mass | 420.277678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8XJIhjOjNnd |
|---|---|
| Name | Methyl 12-(Phenyl)amino-14-aminodehydroabietate |
| Appearance | White crystals |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.277678405 u |
| Formula | C27H36N2O2 |
| InChI | InChI=1S/C27H36N2O2/c1-17(2)23-21(29-18-10-7-6-8-11-18)16-20-19(24(23)28)12-13-22-26(20,3)14-9-15-27(22,4)25(30)31-5/h6-8,10-11,16-17,22,29H,9,12-15,28H2,1-5H3/t22-,26-,27-/m1/s1 |
| InChIKey | MQNFNPWXXHCXHN-GDKKVTFASA-N |
| Instrument Name | Kratos MS 25RF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np000501y |
| Molecular Weight | 420.597 g/mol |
| SMILES | N(C1=CC=CC=C1)C1=C(C(=C2C(=C1)[C@@]1([C@@](CC2)([C@](CCC1)(C)C(=O)OC)[H])C)N)C(C)C |
| SPLASH | splash10-00di-0000900000-b7f76e2568e277f688d6 |
| Source of Spectrum | G4-64-765-19 (DOI: 10.1021/np000501y) |
| Wiley ID | 1892563 |