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Sulforaphane
SpectraBase Compound ID 8otymhlY9dF
InChI InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
InChIKey SUVMJBTUFCVSAD-UHFFFAOYSA-N
Mol Weight 177.28 g/mol
Molecular Formula C6H11NOS2
Exact Mass 177.028206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPQHQKHcjtR
Name (R)-SULFORAPHANE;(4R)-1-ISOTHIOCYANATO-4-(METHYLSULFINYL)-BUTANE
CAS Registry Number 142825-10-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H11NOS2
InChI InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
InChIKey SUVMJBTUFCVSAD-UHFFFAOYSA-N
Literature Reference Author G.R.D.NICOLA,P.ROLLIN,E.MAZZON,R.IORI
Literature Reference Citation MOLECULES,19,6975(2014)
Literature Reference DOI 10.3390/molecules19066975
Molecular Weight 177.279 g/mol
Solvent CDCl3
Source File Reference UWIR14530