![Methyl 12-[phenylamino]-14-aminodehydroabietate](/api/spectrum/D8Onpzvwv5k/structure.png?h=300&w=458 "Methyl 12-[phenylamino]-14-aminodehydroabietate")
| SpectraBase Compound ID | 9WCcqudUhmH |
|---|---|
| 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-WHFUUQJGSA-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 | D8Onpzvwv5k |
|---|---|
| Name | Methyl 12-[phenylamino]-14-aminodehydroabietate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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-WHFUUQJGSA-N |
| Molecular Weight | 420.597 g/mol |
| SMILES | Nc1c(c(cc2c1CCC1[C@@]2(CCC[C@]1(C(=O)OC)C)C)Nc1ccccc1)C(C)C |
| SPLASH | splash10-00di-0000900000-07f6e9a5d7f9d8ad35ca |
| Source of Spectrum | G4-64-765-19 |
| Wiley ID | 1609018 |