| SpectraBase Compound ID | CR1wZN03Rk7 |
|---|---|
| InChI | InChI=1S/C27H34N2O4/c1-17(2)23-21(28-18-10-7-6-8-11-18)16-20-19(24(23)29(31)32)12-13-22-26(20,3)14-9-15-27(22,4)25(30)33-5/h6-8,10-11,16-17,22,28H,9,12-15H2,1-5H3/t22?,26-,27-/m1/s1 |
| InChIKey | YDDPXFJCZPKBRE-WHFUUQJGSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C27H34N2O4 |
| Exact Mass | 450.251858 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3pRakKjrDKp |
|---|---|
| Name | Methyl 12-[phenylamino]-14-nitrodehydroabietate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H34N2O4 |
| InChI | InChI=1S/C27H34N2O4/c1-17(2)23-21(28-18-10-7-6-8-11-18)16-20-19(24(23)29(31)32)12-13-22-26(20,3)14-9-15-27(22,4)25(30)33-5/h6-8,10-11,16-17,22,28H,9,12-15H2,1-5H3/t22?,26-,27-/m1/s1 |
| InChIKey | YDDPXFJCZPKBRE-WHFUUQJGSA-N |
| Molecular Weight | 450.579 g/mol |
| SMILES | N(c1c(c(c2c([C@]3(CCC[C@](C3CC2)(C(=O)OC)C)C)c1)N(=O)=O)C(C)C)c1ccccc1 |
| SPLASH | splash10-0udi-0000900000-32a8d193b8ce57d31b9b |
| Source of Spectrum | G4-64-766-23 |
| Wiley ID | 1609014 |