![Ethanol, 2-[(4-nitrophenyl)thio]-](/api/spectrum/1g1rqlpnk8x/structure.png?h=300&w=458 "Ethanol, 2-[(4-nitrophenyl)thio]-")
| SpectraBase Compound ID | I0DqNLDOAMw |
|---|---|
| InChI | InChI=1S/C8H9NO3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2 |
| InChIKey | RVYZERYSWJUUJY-UHFFFAOYSA-N |
| Mol Weight | 199.22 g/mol |
| Molecular Formula | C8H9NO3S |
| Exact Mass | 199.030314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1g1rqlpnk8x |
|---|---|
| Name | Ethanol, 2-[(4-nitrophenyl)thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.030314325 u |
| Formula | C8H9NO3S |
| InChI | InChI=1S/C8H9NO3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2 |
| InChIKey | RVYZERYSWJUUJY-UHFFFAOYSA-N |
| Molecular Weight | 199.224 g/mol |
| SMILES | C1(=CC=C(C=C1)SCCO)N(=O)=O |