| SpectraBase Spectrum ID |
AT9XAVuTdsm |
| Name |
(3S,4R)-4-(4-(4-Methoxyphenyl)piperazin-1-yl)-2,2-dimethyl-6-nitrochroman-3-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27N3O5 |
| InChI |
InChI=1S/C22H27N3O5/c1-22(2)21(26)20(18-14-16(25(27)28)6-9-19(18)30-22)24-12-10-23(11-13-24)15-4-7-17(29-3)8-5-15/h4-9,14,20-21,26H,10-13H2,1-3H3/t20-,21+/m1/s1 |
| InChIKey |
RAWCSRCCGBIDBU-RTWAWAEBSA-N |
| Literature Reference DOI |
10.5012/bkcs.2011.32.8.2965 |
| Molecular Weight |
413.474 g/mol |
| SMILES |
O[C@@]1(C(Oc2c(cc(cc2)[N+](=O)[O-])[C@]1(N1CCN(CC1)c1ccc(cc1)OC)[H])(C)C)[H] |
| SPLASH |
splash10-03di-0900200000-860b2bd48f10a79e74d7 |
| Source of Spectrum |
QB-32-2968-2f |
| Wiley ID |
1743682 |
