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(R)-1-(4-Phenoxyphenoxy)propan-2-yl thiocyanate

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

(R)-1-(4-Phenoxyphenoxy)propan-2-yl thiocyanate
SpectraBase Compound ID 91sVyLocj7G
InChI InChI=1S/C16H15NO2S/c1-13(20-12-17)11-18-14-7-9-16(10-8-14)19-15-5-3-2-4-6-15/h2-10,13H,11H2,1H3/t13-/m1/s1
InChIKey MFILCKDDGTZXBS-CYBMUJFWSA-N
Mol Weight 285.36 g/mol
Molecular Formula C16H15NO2S
Exact Mass 285.08235 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BcPUBigMNBP
Name (R)-1-(4-Phenoxyphenoxy)propan-2-yl thiocyanate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.082349899 u
Formula C16H15NO2S
InChI InChI=1S/C16H15NO2S/c1-13(20-12-17)11-18-14-7-9-16(10-8-14)19-15-5-3-2-4-6-15/h2-10,13H,11H2,1H3/t13-/m1/s1
InChIKey MFILCKDDGTZXBS-CYBMUJFWSA-N
SMILES C(#N)S[C@@](COC=1C=CC(OC=2C=CC=CC2)=CC1)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908295