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3-(alpha-ACETONYLBENZYL)-4-HYDROXY-6-METHYL-1-THIOCOUMARIN

View entire compound with spectra: 1 FTIR

3-(alpha-ACETONYLBENZYL)-4-HYDROXY-6-METHYL-1-THIOCOUMARIN
SpectraBase Compound ID 2zt6tj8JXAG
InChI InChI=1S/C20H18O3S/c1-12-8-9-17-16(10-12)19(22)18(20(23)24-17)15(11-13(2)21)14-6-4-3-5-7-14/h3-10,15,22H,11H2,1-2H3
InChIKey JCZIIRHNQKDHQH-UHFFFAOYSA-N
Mol Weight 338.42 g/mol
Molecular Formula C20H18O3S
Exact Mass 338.097666 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 144aOEWbiGf
Name 3-(alpha-ACETONYLBENZYL)-4-HYDROXY-6-METHYL-1-THIOCOUMARIN
Source of Sample S. Rajagopal, Karnatak University, Dharwar, India
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O3S
InChI InChI=1S/C20H18O3S/c1-12-8-9-17-16(10-12)19(22)18(20(23)24-17)15(11-13(2)21)14-6-4-3-5-7-14/h3-10,15,22H,11H2,1-2H3
InChIKey JCZIIRHNQKDHQH-UHFFFAOYSA-N
Melting Point 235C
Molecular Weight 338.420990
Synonyms 4-HYDROXY-6-METHYL-3-(3-OXO-1-PHENYLBUTYL)-1-THIOCOUMARIN 1-THIOCOUMARIN, 3-/A-ACETONYLBENZYL/- 4-HYDROXY-6-METHYL-, 1-THIOCOUMARIN, 4-HYDROXY-6-METHYL- 3-/3-OXO-1-PHENYLBUTYL/-,
Technique KBr WAFER