| SpectraBase Spectrum ID |
5akUN4oPfvQ |
| Name |
(3S,4R)-4-(4-(2-Fluorophenyl)piperazin-1-yl)-2,2-dimethyl-6-nitrochroman-3-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24FN3O4 |
| InChI |
InChI=1S/C21H24FN3O4/c1-21(2)20(26)19(15-13-14(25(27)28)7-8-18(15)29-21)24-11-9-23(10-12-24)17-6-4-3-5-16(17)22/h3-8,13,19-20,26H,9-12H2,1-2H3/t19-,20+/m1/s1 |
| InChIKey |
KAUNSPNKMWFHNM-UXHICEINSA-N |
| Literature Reference DOI |
10.5012/bkcs.2011.32.8.2965 |
| Molecular Weight |
401.438 g/mol |
| SMILES |
O[C@@]1(C(Oc2c(cc(cc2)[N+](=O)[O-])[C@]1(N1CCN(CC1)c1ccccc1F)[H])(C)C)[H] |
| SPLASH |
splash10-0udi-0901100000-1baf6ec94c723c29deda |
| Source of Spectrum |
QB-32-2968-2b |
| Wiley ID |
1743679 |
