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2,5-DIMETHYLPHENOXYETHYL-THIOCYANATE
SpectraBase Compound ID 7Aln8n5Rq4b
InChI InChI=1S/C11H13NOS/c1-9-3-4-10(2)11(7-9)13-5-6-14-8-12/h3-4,7H,5-6H2,1-2H3
InChIKey GMLRJVMZWKNOTF-UHFFFAOYSA-N
Mol Weight 207.29 g/mol
Molecular Formula C11H13NOS
Exact Mass 207.071785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LU6FnCYGqsZ
Name 2,5-DIMETHYLPHENOXYETHYL-THIOCYANATE
Compound Number 66
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13NOS
InChI InChI=1S/C11H13NOS/c1-9-3-4-10(2)11(7-9)13-5-6-14-8-12/h3-4,7H,5-6H2,1-2H3
InChIKey GMLRJVMZWKNOTF-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 207.290 g/mol
Sample ID 64961
Solvent CDCl3