| SpectraBase Spectrum ID |
GSVi1rrr4Qj |
| Name |
3-hydroxy-5,5-dimethyl-2-[1-[(3-nitro-2-pyridyl)amino]-2-oxo-2-phenyl-ethyl]cyclohex-2-en-1-one |
| Appearance |
Yellow powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21N3O5 |
| InChI |
InChI=1S/C21H21N3O5/c1-21(2)11-15(25)17(16(26)12-21)18(19(27)13-7-4-3-5-8-13)23-20-14(24(28)29)9-6-10-22-20/h3-10,18,25H,11-12H2,1-2H3,(H,22,23) |
| InChIKey |
VTJXFAVRIFDHHR-UHFFFAOYSA-N |
| Instrument Name |
HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2752 |
| Molecular Weight |
395.415 g/mol |
| SMILES |
OC=1CC(CC(C1C(Nc1ncccc1[N+](=O)[O-])C(c1ccccc1)=O)=O)(C)C |
| SPLASH |
splash10-0a6u-5980000000-523f668d6b0f94da5de7 |
| Source of Spectrum |
Y-54-1750-9b |
| Wiley ID |
1878328 |
![3-hydroxy-5,5-dimethyl-2-[1-[(3-nitro-2-pyridyl)amino]-2-oxo-2-phenyl-ethyl]cyclohex-2-en-1-one](/api/spectrum/GSVi1rrr4Qj/structure.png?h=300&w=458 "3-hydroxy-5,5-dimethyl-2-[1-[(3-nitro-2-pyridyl)amino]-2-oxo-2-phenyl-ethyl]cyclohex-2-en-1-one")
