| SpectraBase Spectrum ID |
CJiEUfiN7sg |
| Name |
2-Butenoic acid, 2-cyano-3-(1-piperidinyl)-, ethyl ester, (E)- |
| Alternate Name(s) |
ethyl (2E)-2-cyano-3-(1-piperidinyl)-2-butenoate
Ethyl (E)-2-cyano-3-(1-piperidino)croatonate |
| CAS Registry Number |
111505-57-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18N2O2 |
| InChI |
InChI=1S/C12H18N2O2/c1-3-16-12(15)11(9-13)10(2)14-7-5-4-6-8-14/h3-8H2,1-2H3/b11-10+ |
| InChIKey |
SMXIPONVTGDILC-ZHACJKMWSA-N |
| Molecular Weight |
222.288 g/mol |
| SMILES |
C1N(\C(=C\(C(=O)OCC)C#N)C)CCCC1 |
| SPLASH |
splash10-0002-0910000000-fe4113becd2bfc17ca0d |
| Source of Spectrum |
I-65-2720-8 |
| Wiley ID |
1222371 |
