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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID GpbAc6nWFK
Name Sulforaphane
Source of Sample Cayman Chemical Company
Catalog Number 10496
Lot Number 0500562-4
Accessory DurasamplIR II
Acronyms SFN
Apodization Function Norton-Beer, medium
CAS Registry Number 4478-93-7
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Formula C6H11NOS2
IUPAC Name 1-Isothiocyanato-4-(methylsulfinyl)butane
InChI InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
InChIKey SUVMJBTUFCVSAD-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES CS(CCCCN=C=S)=O
Solvent Dichloromethane
Source of Spectrum Forensic Spectral Research
Technique ATR-Film