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4-METHYLPHENOXYETHYL-THIOCYANATE

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4-METHYLPHENOXYETHYL-THIOCYANATE
SpectraBase Compound ID 62TE9diIUTv
InChI InChI=1S/C10H11NOS/c1-9-2-4-10(5-3-9)12-6-7-13-8-11/h2-5H,6-7H2,1H3
InChIKey OORLDEINXMZERD-UHFFFAOYSA-N
Mol Weight 193.26 g/mol
Molecular Formula C10H11NOS
Exact Mass 193.056135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOc2kVL9zkK
Name 4-METHYLPHENOXYETHYL-THIOCYANATE
Compound Number 53
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H11NOS
InChI InChI=1S/C10H11NOS/c1-9-2-4-10(5-3-9)12-6-7-13-8-11/h2-5H,6-7H2,1H3
InChIKey OORLDEINXMZERD-UHFFFAOYSA-N
Literature Reference Author E.ELHALEM,B.N.BAILEY,R.DOCAMPO,I.UJVARY,S.H.SZAJNMAN,J.B.ROD RIGUEZ
Literature Reference Citation J.MED.CHEM.,45,3984(2002)
Literature Reference DOI 10.1021/jm0201518
Molecular Weight 193.263 g/mol
Sample ID 64958
Solvent CDCl3