| SpectraBase Spectrum ID |
5IbxurKOiAL |
| Name |
Isonipecotic acid, N-(2-chloropropionyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.097521141 u |
| Formula |
C11H18ClNO3 |
| InChI |
InChI=1S/C11H18ClNO3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8(2)12/h8-9H,3-7H2,1-2H3 |
| InChIKey |
AVZSMRMIZSTDGN-UHFFFAOYSA-N |
| Molecular Weight |
247.722 g/mol |
| SMILES |
CC(C(N1CCC(C(OCC)=O)CC1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884309 |
