| SpectraBase Spectrum ID |
IwzR0mUEkGF |
| Name |
Methyl 12-(Phenyl)amino-14-nitrodehydroabietate |
| Appearance |
Yellow crystals |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.251857579 u |
| 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-GDKKVTFASA-N |
| Instrument Name |
Kratos MS 25RF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np000501y |
| Molecular Weight |
450.579 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+]([O-])=O)C(C)C |
| SPLASH |
splash10-0udi-0000900000-e48443f6d06b60637e0d |
| Source of Spectrum |
G4-64-766-23 (DOI: 10.1021/np000501y) |
| Wiley ID |
1892567 |
