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3-Cyanophenyl isothiocyanate
SpectraBase Compound ID EKx7SHacKlW
InChI InChI=1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChIKey UXCYPHCFQAFVFH-UHFFFAOYSA-N
Mol Weight 160.19 g/mol
Molecular Formula C8H4N2S
Exact Mass 160.009519 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 95Vse99vpYO
Name 3-Cyanophenyl isothiocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L13045
Lot Number USLF004916
CAS Registry Number 3125-78-8
Color Properties White
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Formula C8H4N2S
InChI InChI=1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChIKey UXCYPHCFQAFVFH-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Physical State Solid
Purity 97%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms 3-Isothiocyanatobenzonitrile
Technique ATR-Neat (DuraSamplIR II)