| SpectraBase Compound ID | 2jMYaqXyCJc |
|---|---|
| InChI | InChI=1S/C14H16N2O4S/c1-10(17)15(11(2)18)16(12(3)19)14(20)9-21-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3 |
| InChIKey | CWMQXVZFVUCVQM-UHFFFAOYSA-N |
| Mol Weight | 308.35 g/mol |
| Molecular Formula | C14H16N2O4S |
| Exact Mass | 308.083078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEtpeS8BT2R |
|---|---|
| Name | 2-(Phenylsulfanyl)acetohydrazide, 3ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.083078173 u |
| Formula | C14H16N2O4S |
| InChI | InChI=1S/C14H16N2O4S/c1-10(17)15(11(2)18)16(12(3)19)14(20)9-21-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3 |
| InChIKey | CWMQXVZFVUCVQM-UHFFFAOYSA-N |
| Molecular Weight | 308.352 g/mol |
| SMILES | C(SC1=CC=CC=C1)C(=O)N(N(C(C)=O)C(C)=O)C(C)=O |