| SpectraBase Spectrum ID |
1tIY8UGr29W |
| Name |
3-Hydroxy-2-phenyl-propionic acid 8-cyanomethyl-8-aza-bicyclo[3.2.1]oct-3-yl ester |
| Alternate Name(s) |
8-(cyanomethyl)-8-azabicyclo[3.2.1]oct-3-yl tropate
8-(Hydroxymethylbenzylcarbonyloxymethyl)-8-azabicyclo[3.2.1]octan-3-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N2O3 |
| InChI |
InChI=1S/C18H22N2O3/c19-8-9-20-14-6-7-15(20)11-16(10-14)23-18(22)17(12-21)13-4-2-1-3-5-13/h1-5,14-17,21H,6-7,9-12H2/t14-,15+,16?,17? |
| InChIKey |
GIUHBEALTFPYFP-RYTJFDOTSA-N |
| Molecular Weight |
314.385 g/mol |
| SMILES |
OCC(C(OC1C[C@]2(N([C@@](C1)(CC2)[H])CC#N)[H])=O)c1ccccc1 |
| SPLASH |
splash10-0udi-0900000000-52be5fc56f265e88ab07 |
| Source of Spectrum |
AT-31-4737-3 |
| Wiley ID |
835752 |
![3-Hydroxy-2-phenyl-propionic acid 8-cyanomethyl-8-aza-bicyclo[3.2.1]oct-3-yl ester](/api/spectrum/1tIY8UGr29W/structure.png?h=300&w=458 "3-Hydroxy-2-phenyl-propionic acid 8-cyanomethyl-8-aza-bicyclo[3.2.1]oct-3-yl ester")
