SpectraBase Spectrum ID |
1bTdesubaA2 |
Name |
Methyl 2-(3-methoxy-3-oxopropyl)-6-oxopiperidine-3-carboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
243.110672646 u |
Formula |
C11H17NO5 |
InChI |
InChI=1S/C11H17NO5/c1-16-10(14)6-4-8-7(11(15)17-2)3-5-9(13)12-8/h7-8H,3-6H2,1-2H3,(H,12,13) |
InChIKey |
ZNENTKOJZWMGNF-UHFFFAOYSA-N |
Molecular Weight |
243.259 g/mol |
SMILES |
C1(NC(CCC(OC)=O)C(CC1)C(OC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933917 |