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3-(Chloromethyl)-2-(4-methyl-3-methylol-phenyl)thiochromen-4-one

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

3-(Chloromethyl)-2-(4-methyl-3-methylol-phenyl)thiochromen-4-one
SpectraBase Compound ID 4ynM1Hry7qB
InChI InChI=1S/C18H15ClO2S/c1-11-6-7-12(8-13(11)10-20)18-15(9-19)17(21)14-4-2-3-5-16(14)22-18/h2-8,20H,9-10H2,1H3
InChIKey VHYJZSXJTOJPKA-UHFFFAOYSA-N
Mol Weight 330.83 g/mol
Molecular Formula C18H15ClO2S
Exact Mass 330.048129 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GJ3WBbOzNde
Name 3-(Chloromethyl)-2-(4-methyl-3-methylol-phenyl)thiochromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.048128595 u
Formula C18H15ClO2S
InChI InChI=1S/C18H15ClO2S/c1-11-6-7-12(8-13(11)10-20)18-15(9-19)17(21)14-4-2-3-5-16(14)22-18/h2-8,20H,9-10H2,1H3
InChIKey VHYJZSXJTOJPKA-UHFFFAOYSA-N
Molecular Weight 330.829 g/mol
SMILES C(Cl)C1=C(SC2=CC=CC=C2C1=O)C1=CC(=C(C)C=C1)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852029