SpectraBase Spectrum ID |
EnRPI5a4on3 |
Name |
1-[4-(Chloro-difluoro-methoxy)-phenyl]-3-phenethyl-thiourea |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
356.056168310 u |
Formula |
C16H15ClF2N2OS |
InChI |
InChI=1S/C16H15ClF2N2OS/c17-16(18,19)22-14-8-6-13(7-9-14)21-15(23)20-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,20,21,23) |
InChIKey |
YQPVQSSRLUVDLW-UHFFFAOYSA-N |
Molecular Weight |
356.819 g/mol |
SMILES |
C(OC1=CC=C(NC(=S)NCCC2=CC=CC=C2)C=C1)(Cl)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903296 |