![{(2E)-2-[(1-butylpentylidene)hydrazono]-4-oxo-1,3-thiazolidin-5-yl}acetic acid](/api/spectrum/EWSeUIGj8eO/structure.png?h=300&w=458 "{(2E)-2-[(1-butylpentylidene)hydrazono]-4-oxo-1,3-thiazolidin-5-yl}acetic acid")
| SpectraBase Compound ID | J48pDpdfjWR |
|---|---|
| InChI | InChI=1S/C14H23N3O3S/c1-3-5-7-10(8-6-4-2)16-17-14-15-13(20)11(21-14)9-12(18)19/h11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20) |
| InChIKey | ZXEBKQYDKVBXKM-UHFFFAOYSA-N |
| Mol Weight | 313.42 g/mol |
| Molecular Formula | C14H23N3O3S |
| Exact Mass | 313.146013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWSeUIGj8eO |
|---|---|
| Name | {(2E)-2-[(1-Butylpentylidene)hydrazono]-4-oxo-1,3-thiazolidin-5-yl}acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.146012784 u |
| Formula | C14H23N3O3S |
| InChI | InChI=1S/C14H23N3O3S/c1-3-5-7-10(8-6-4-2)16-17-14-15-13(20)11(21-14)9-12(18)19/h11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20) |
| InChIKey | ZXEBKQYDKVBXKM-UHFFFAOYSA-N |
| SMILES | N1C(C(CC(=O)O)S\C1=N/N=C(CCCC)CCCC)=O |