| SpectraBase Compound ID | CIVmSER4cRJ |
|---|---|
| InChI | InChI=1S/C4H2ClNOS/c5-2-1-4(7)6-3-8/h1-2H/b2-1+ |
| InChIKey | FRJYAPDWYISLIC-OWOJBTEDSA-N |
| Mol Weight | 147.58 g/mol |
| Molecular Formula | C4H2ClNOS |
| Exact Mass | 146.954563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 460CfNKMrau |
|---|---|
| Name | Isothiocyanic acid, trans-3-chloro-propenoyl ester |
| CAS Registry Number | 75558-96-2 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C4H2ClNOS |
| InChI | InChI=1S/C4H2ClNOS/c5-2-1-4(7)6-3-8/h1-2H/b2-1+ |
| InChIKey | FRJYAPDWYISLIC-OWOJBTEDSA-N |
| Instrument Name | Bruker WH-90 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |