| SpectraBase Spectrum ID |
ICQco7Hrt1g |
| Name |
(3S,4R)-4-(4-(4-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(17-13-16(25(27)28)7-8-18(17)29-21)24-11-9-23(10-12-24)15-5-3-14(22)4-6-15/h3-8,13,19-20,26H,9-12H2,1-2H3/t19-,20+/m1/s1 |
| InChIKey |
ULOGNPSRTFUFAF-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)c1ccc(cc1)F)[H])(C)C)[H] |
| SPLASH |
splash10-0udi-0901100000-8e120b45a54f4c899d63 |
| Source of Spectrum |
QB-32-2968-2c |
| Wiley ID |
1743680 |
