| SpectraBase Spectrum ID |
3fL6D2437OB |
| Name |
trans-(4aS,8aS)-2-[3-(trifluoromethyl)phenyl]-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H15F3N2O |
| InChI |
InChI=1S/C15H15F3N2O/c16-15(17,18)10-5-3-4-9(8-10)13-19-12-7-2-1-6-11(12)14(21)20-13/h3-5,8,11-12H,1-2,6-7H2,(H,19,20,21)/t11-,12-/m0/s1 |
| InChIKey |
FDDHWUBVHHCMCL-RYUDHWBXSA-N |
| Instrument Name |
VG Analytical 7070E |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002_(SICI)1097-0231(19960131)10_2_214 |
| Molecular Weight |
296.293 g/mol |
| SMILES |
N1C([C@@]2([C@@](N=C1c1cccc(c1)C(F)(F)F)(CCCC2)[H])[H])=O |
| SPLASH |
splash10-0005-0190000000-3954e4bd50e286f6811f |
| Source of Spectrum |
RCM-10-215-12b |
| Wiley ID |
1835992 |
![trans-(4aS,8aS)-2-[3-(trifluoromethyl)phenyl]-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one](/api/spectrum/3fL6D2437OB/structure.png?h=300&w=458 "trans-(4aS,8aS)-2-[3-(trifluoromethyl)phenyl]-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one")
