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7-METHYLTHIO-HEPTYL-ISOTHIOCYANATE

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7-METHYLTHIO-HEPTYL-ISOTHIOCYANATE
SpectraBase Compound ID 7ESnBIyxPSU
InChI InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3
InChIKey LDIRGNDMTOGVRB-UHFFFAOYSA-N
Mol Weight 203.36 g/mol
Molecular Formula C9H17NS2
Exact Mass 203.080242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5STxmHQV3aR
Name 7-METHYLTHIO-HEPTYL-ISOTHIOCYANATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H17NS2
InChI InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3
InChIKey LDIRGNDMTOGVRB-UHFFFAOYSA-N
Literature Reference Author K.INA,H.INA,M.UEDA,A.YAGI,I.KISHIMA
Literature Reference Citation AGR.BIOL.CHEM.,53,537(1989)
Literature Reference DOI 10.1271/bbb1961.53.537
Molecular Weight 203.361 g/mol
Solvent CDCl3
Source File Reference UWIR7649