![butanedioic acid, 2-[(aminocarbonothioyl)hydrazono]-, diethyl ester, (2E)-](/api/spectrum/E7LSEqEV4Hl/structure.png?h=300&w=458 "butanedioic acid, 2-[(aminocarbonothioyl)hydrazono]-, diethyl ester, (2E)-")
| SpectraBase Compound ID | GVtEgRVirOE |
|---|---|
| InChI | InChI=1S/C9H15N3O4S/c1-3-15-7(13)5-6(8(14)16-4-2)11-12-9(10)17/h3-5H2,1-2H3,(H3,10,12,17)/b11-6+ |
| InChIKey | QWEMJMPOIAUIFA-IZZDOVSWSA-N |
| Mol Weight | 261.3 g/mol |
| Molecular Formula | C9H15N3O4S |
| Exact Mass | 261.078327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7LSEqEV4Hl |
|---|---|
| Name | Butanedioic acid, 2-[(aminocarbonothioyl)hydrazono]-, diethyl ester, (2E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.078327145 u |
| Formula | C9H15N3O4S |
| InChI | InChI=1S/C9H15N3O4S/c1-3-15-7(13)5-6(8(14)16-4-2)11-12-9(10)17/h3-5H2,1-2H3,(H3,10,12,17)/b11-6+ |
| InChIKey | QWEMJMPOIAUIFA-IZZDOVSWSA-N |
| SMILES | N(C(=S)N)\N=C/(CC(=O)OCC)C(=O)OCC |