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4-n-Butyl-2-methylphenyl isothiocyanate

View entire compound with spectra: 2 FTIR, and 1 Raman

4-n-Butyl-2-methylphenyl isothiocyanate
SpectraBase Compound ID 8wAN7CpkecX
InChI InChI=1S/C12H15NS/c1-3-4-5-11-6-7-12(13-9-14)10(2)8-11/h6-8H,3-5H2,1-2H3
InChIKey BJMLHJJEHDPCKW-UHFFFAOYSA-N
Mol Weight 205.32 g/mol
Molecular Formula C12H15NS
Exact Mass 205.092521 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID AOI3wz3velA
Name 4-n-Butyl-2-methylphenyl isothiocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number A18984
Lot Number I4264A
CAS Registry Number 175205-37-5
Color Properties Colorless
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NS
InChI InChI=1S/C12H15NS/c1-3-4-5-11-6-7-12(13-9-14)10(2)8-11/h6-8H,3-5H2,1-2H3
InChIKey BJMLHJJEHDPCKW-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 205.319 g/mol
Physical State Liquid
Purity 95%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)