| SpectraBase Spectrum ID |
744Kfgx53Ou |
| Name |
(3R,4S)-4-(Cyclohexylamino)-2,2-dimethyl-6-nitrochroman-3-ol |
| Alternate Name(s) |
(3S,4R)-4-(Cyclohexylamino)-2,2-dimethyl-6-nitrochroman-3-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H24N2O4 |
| InChI |
InChI=1S/C17H24N2O4/c1-17(2)16(20)15(18-11-6-4-3-5-7-11)13-10-12(19(21)22)8-9-14(13)23-17/h8-11,15-16,18,20H,3-7H2,1-2H3/t15-,16+/m0/s1 |
| InChIKey |
PBKLTZSPCQRVSO-JKSUJKDBSA-N |
| Molecular Weight |
320.389 g/mol |
| SMILES |
O[C@]1(C(Oc2c([C@@]1(NC1CCCCC1)[H])cc(cc2)N(=O)=O)(C)C)[H] |
| SPLASH |
splash10-00kb-0290000000-f262048143294a54b37d |
| Source of Spectrum |
QC-23-1036-8c |
| Wiley ID |
1738820 |
