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PHENOXYETHYL-THIOCYANATE
SpectraBase Compound ID In2fOcUbkTD
InChI InChI=1S/C9H9NOS/c10-8-12-7-6-11-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey ZDQZOJVMDFPFMT-UHFFFAOYSA-N
Mol Weight 179.24 g/mol
Molecular Formula C9H9NOS
Exact Mass 179.040485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LK89ZjJrwaV
Name PHENOXYETHYL-THIOCYANATE
Compound Number 56
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9NOS
InChI InChI=1S/C9H9NOS/c10-8-12-7-6-11-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey ZDQZOJVMDFPFMT-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 179.237 g/mol
Sample ID 64959
Solvent CDCl3