| SpectraBase Spectrum ID |
B12dud6WE3E |
| Name |
Methyl 12-(4-Methoxyphenyl)amino-14-nitrodehydroabietate |
| Appearance |
Yellow crystals |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.262422262 u |
| Formula |
C28H36N2O5 |
| InChI |
InChI=1S/C28H36N2O5/c1-17(2)24-22(29-18-8-10-19(34-5)11-9-18)16-21-20(25(24)30(32)33)12-13-23-27(21,3)14-7-15-28(23,4)26(31)35-6/h8-11,16-17,23,29H,7,12-15H2,1-6H3/t23-,27-,28-/m1/s1 |
| InChIKey |
JEIPPQJHMQRVCN-XTBZXYEFSA-N |
| Instrument Name |
Kratos MS 25RF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np000501y |
| Molecular Weight |
480.605 g/mol |
| SMILES |
N(C1=CC=C(C=C1)OC)C1=C(C(=C2C(=C1)[C@@]1([C@@](CC2)([C@](CCC1)(C)C(=O)OC)[H])C)[N+]([O-])=O)C(C)C |
| SPLASH |
splash10-001i-0000900000-bfa47ca1e173a346546b |
| Source of Spectrum |
G4-64-764-13 (DOI: 10.1021/np000501y) |
| Wiley ID |
1892557 |
