| 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 |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DucsL0CNYYC |
|---|---|
| Name | isothiocyanic acid, 3,4-xylyl ester |
| Copyright | Copyright © 2009-2024 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 |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 31319M |
| Solvent | CDCl3 |