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2,4,6-Triisopropylphenylthiocyanate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2,4,6-Triisopropylphenylthiocyanate
SpectraBase Compound ID EvdBVRJFJaH
InChI InChI=1S/C16H23NS/c1-10(2)13-7-14(11(3)4)16(18-9-17)15(8-13)12(5)6/h7-8,10-12H,1-6H3
InChIKey SDNJPEOQKDKGDB-UHFFFAOYSA-N
Mol Weight 261.43 g/mol
Molecular Formula C16H23NS
Exact Mass 261.155121 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AwJs4MySRNE
Name 2,4,6-Triisopropylphenylthiocyanate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.155120919 u
Formula C16H23NS
InChI InChI=1S/C16H23NS/c1-10(2)13-7-14(11(3)4)16(18-9-17)15(8-13)12(5)6/h7-8,10-12H,1-6H3
InChIKey SDNJPEOQKDKGDB-UHFFFAOYSA-N
Molecular Weight 261.427 g/mol
SMILES C=1(C(=CC(=CC1C(C)C)C(C)C)C(C)C)SC#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957261