| SpectraBase Spectrum ID |
FFFZH6MaxHX |
| Name |
1,3-Butanedione, 1-[2-(diethylamino)-4-oxo-1-cyclobuten-1-yl]- |
| 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/c1-4-13(5-2)9-7-11(16)12(9)10(15)6-8(3)14/h4-7H2,1-3H3 |
| InChIKey |
ZRLNRGVSUTWSJT-UHFFFAOYSA-N |
| Molecular Weight |
223.272 g/mol |
| SMILES |
C1(=C(N(CC)CC)CC1=O)C(CC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828765 |
![1,3-Butanedione, 1-[2-(diethylamino)-4-oxo-1-cyclobuten-1-yl]-](/api/spectrum/FFFZH6MaxHX/structure.png?h=300&w=458 "1,3-Butanedione, 1-[2-(diethylamino)-4-oxo-1-cyclobuten-1-yl]-")
