| SpectraBase Spectrum ID |
CDp6mR62uwt |
| Name |
Isonipecotic acid, N-(N'-ethoxycarbonylisonipecotinoyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.199822005 u |
| Formula |
C17H28N2O5 |
| InChI |
InChI=1S/C17H28N2O5/c1-3-23-16(21)14-7-9-18(10-8-14)15(20)13-5-11-19(12-6-13)17(22)24-4-2/h13-14H,3-12H2,1-2H3 |
| InChIKey |
BKJMCHJNTQNDMP-UHFFFAOYSA-N |
| Molecular Weight |
340.420 g/mol |
| SMILES |
C1N(CCC(C1)C(OCC)=O)C(C1CCN(C(OCC)=O)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915243 |
