| SpectraBase Spectrum ID |
LC9mAGI1atP |
| Name |
3.beta.-(benzoyloxy)-5.alpha.-chloro-1.beta.-[(ethoxycarbonyl)amino]cycloheptane |
| Alternate Name(s) |
(1R,3R,6R)-3-chloro-6-[(ethoxycarbonyl)amino]cycloheptyl benzoate |
| CAS Registry Number |
95687-96-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22ClNO4 |
| InChI |
InChI=1S/C17H22ClNO4/c1-2-22-17(21)19-14-9-8-13(18)10-15(11-14)23-16(20)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3,(H,19,21)/t13-,14-,15+/m1/s1 |
| InChIKey |
XNMOCAKDYGUFBF-KFWWJZLASA-N |
| Molecular Weight |
339.819 g/mol |
| SMILES |
N(C(=O)OCC)[C@]1(C[C@@](OC(=O)c2ccccc2)(C[C@](Cl)(CC1)[H])[H])[H] |
| SPLASH |
splash10-0a7i-3920000000-2cead420a5eeb1e20cb5 |
| Source of Spectrum |
J-50-1825-41 |
| Wiley ID |
1334416 |
![3.beta.-(benzoyloxy)-5.alpha.-chloro-1.beta.-[(ethoxycarbonyl)amino]cycloheptane](/api/spectrum/LC9mAGI1atP/structure.png?h=300&w=458 "3.beta.-(benzoyloxy)-5.alpha.-chloro-1.beta.-[(ethoxycarbonyl)amino]cycloheptane")
