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Phenylisothiocyanate
SpectraBase Compound ID G3PhJzMRLGe
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
Mol Weight 135.18 g/mol
Molecular Formula C7H5NS
Exact Mass 135.01427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIIYwn9LRmD
Name Isothiocyanatobenzene
Appearance Colorless liquid
Carrier Gas (20 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NS
GC Column Agilent 19091s-433 HP-SMS (30 m x 0.250 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
Inlet Type Split (20:1)
Instrument Name Agilent Technologies 5975-7820A GC
Ionization Type EI
Literature Reference DOI 10.1002/chem.201705240
Quality 211
SMILES C1=CC(=CC=C1)N=C=S
SPLASH splash10-002r-6900000000-d5c25b11fb90a09ccd0d
Source of Spectrum QE-24-SM4-4-1 (DOI: 10.1002/chem.201705240)
Wiley ID 1900231