| SpectraBase Spectrum ID |
EXFtcKJf14X |
| Name |
2,4(1H,3H)-Pyridinedione, 6-methyl-3-(1-oxopropyl)-1-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.120843408 u |
| Formula |
C12H17NO3 |
| InChI |
InChI=1S/C12H17NO3/c1-4-6-13-8(3)7-10(15)11(12(13)16)9(14)5-2/h7,11H,4-6H2,1-3H3 |
| InChIKey |
LCCQUGSWQUJTRR-UHFFFAOYSA-N |
| Molecular Weight |
223.272 g/mol |
| SMILES |
C1(N(C(C)=CC(C1C(=O)CC)=O)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842266 |
