| SpectraBase Spectrum ID |
6VFyZ91UHJy |
| Name |
(3S,4R)-2,2-Dimethyl-6-nitro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)chroman-3-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24F3N3O4 |
| InChI |
InChI=1S/C22H24F3N3O4/c1-21(2)20(29)19(17-13-16(28(30)31)6-7-18(17)32-21)27-10-8-26(9-11-27)15-5-3-4-14(12-15)22(23,24)25/h3-7,12-13,19-20,29H,8-11H2,1-2H3/t19-,20+/m1/s1 |
| InChIKey |
DYNHOWBVJHICIB-UXHICEINSA-N |
| Literature Reference DOI |
10.5012/bkcs.2011.32.8.2965 |
| Molecular Weight |
451.446 g/mol |
| SMILES |
O[C@@]1(C(Oc2c(cc([N+](=O)[O-])cc2)[C@]1(N1CCN(CC1)c1cccc(c1)C(F)(F)F)[H])(C)C)[H] |
| SPLASH |
splash10-0udi-0191000000-fc68b4d27847aa59fe7d |
| Source of Spectrum |
QB-32-2968-2g |
| Wiley ID |
1743683 |
