| SpectraBase Spectrum ID |
IyT0rCjloIY |
| Name |
3-Cyclohexene-1-carboxaldehyde, 3-hydroxy-5-oxo-4-(1-oxobutyl)-, sodium salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.071153175 u |
| Formula |
C11H13NaO4 |
| InChI |
InChI=1S/C11H14O4.Na/c1-2-3-8(13)11-9(14)4-7(6-12)5-10(11)15;/h6-7,14H,2-5H2,1H3;/q;+1/p-1 |
| InChIKey |
IUZFDVHTJQNBGU-UHFFFAOYSA-M |
| Molecular Weight |
232.211 g/mol |
| SMILES |
C1(C(=C(CC(C1)C=O)[O-])C(CCC)=O)=O.[Na+] |
| Spectrum/Structure Validation Score (Raman) |
0.714318 |
