| SpectraBase Spectrum ID |
IVmDoUwg16e |
| Name |
(5RS,9SR,11RS)-Cyano Ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H18N2O3 |
| InChI |
InChI=1S/C17H18N2O3/c1-10-6-11-7-14-12(4-5-15(19-14)21-2)17(8-10,13(11)9-18)16(20)22-3/h4-6,11,13H,7-8H2,1-3H3/t11-,13-,17-/m0/s1 |
| InChIKey |
MDDDNINNWUMKPW-BNLOLNQZSA-N |
| Molecular Weight |
298.342 g/mol |
| SMILES |
[C@]12(c3c(nc(cc3)OC)C[C@@]([C@@]1(C#N)[H])(C=C(C2)C)[H])C(=O)OC |
| SPLASH |
splash10-00di-0930000000-83c782e9966abf80e987 |
| Source of Spectrum |
J-58-7667-26 |
| Wiley ID |
1301001 |
