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ETHYL-2-(PARA-HYDROXYBENZYL)-2-ISOTHIOCYANATOCARBOXYLATE
SpectraBase Compound ID 1dSDbOfIuPs
InChI InChI=1S/C12H13NO3S/c1-2-16-12(15)11(13-8-17)7-9-3-5-10(14)6-4-9/h3-6,11,14H,2,7H2,1H3
InChIKey ONFNGVVTYFAOHH-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJ5GdG1QC8j
Name ETHYL-2-(PARA-HYDROXYBENZYL)-2-ISOTHIOCYANATOCARBOXYLATE
Compound Number 1I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-2-16-12(15)11(13-8-17)7-9-3-5-10(14)6-4-9/h3-6,11,14H,2,7H2,1H3
InChIKey ONFNGVVTYFAOHH-UHFFFAOYSA-N
Literature Reference Author L.FLOCH,V.OREMUS,M.KOVACS
Literature Reference Citation MOLECULES,4,279(1999)
Literature Reference DOI 10.3390/41000279
Molecular Weight 251.300 g/mol
Solvent CDCl3
Source File Reference UWVN7144