| SpectraBase Compound ID | p5XchgN051 |
|---|---|
| InChI | InChI=1S/C9H9NS/c1-7-3-4-9(10-6-11)5-8(7)2/h3-5H,1-2H3 |
| InChIKey | JFSHJWKBNJMGOK-UHFFFAOYSA-N |
| Mol Weight | 163.24 g/mol |
| Molecular Formula | C9H9NS |
| Exact Mass | 163.04557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | CDAFlsdhQtY |
|---|---|
| Name | ISOTHIOCYANIC ACID, 3,4-XYLYL ESTER |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NS |
| InChI | InChI=1S/C9H9NS/c1-7-3-4-9(10-6-11)5-8(7)2/h3-5H,1-2H3 |
| InChIKey | JFSHJWKBNJMGOK-UHFFFAOYSA-N |
| Molecular Weight | 163.24 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |