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2,4-dimethyl-5-thiazolyl methyl ketone
SpectraBase Compound ID GDkNz2gfZxw
InChI InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
InChIKey BLQOKWQUTLNKON-UHFFFAOYSA-N
Mol Weight 155.21 g/mol
Molecular Formula C7H9NOS
Exact Mass 155.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GSq74IG7wx
Name Thiazole <5-acetyl-, 2,4-dimethyl->
Source of Sample SAFC Cat.no. 298085
CAS Registry Number 38205-60-6
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 155.040485087 u
Formula C7H9NOS
InChI InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
InChIKey BLQOKWQUTLNKON-UHFFFAOYSA-N
Molecular Weight 155.215 g/mol
Number of Peaks 50
RI1 1240
RI2 918
RI3 1244
RI4 1202
SMILES c1(c(C(C)=O)sc(n1)C)C
SPLASH splash10-0006-9300000000-4c4aeaff1b8beb272b11
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-
Wiley ID LM_FFNSC3_245