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1-[2'-Hydroxy-3'-(methoxymethyl)-5'-methylphenyl]-3-(3''-thienyl)propane-1,3-dione
SpectraBase Compound ID CnHYqk86WdK
InChI InChI=1S/C16H16O4S/c1-10-5-12(8-20-2)16(19)13(6-10)15(18)7-14(17)11-3-4-21-9-11/h3-6,9,19H,7-8H2,1-2H3
InChIKey XRSPBNRTMSMSTR-UHFFFAOYSA-N
Mol Weight 304.36 g/mol
Molecular Formula C16H16O4S
Exact Mass 304.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IK4PCcrKIZs
Name 1-[2'-Hydroxy-3'-(methoxymethyl)-5'-methylphenyl]-3-(3''-thienyl)propane-1,3-dione
Alternate Name(s) 1-[2-hydroxy-3-(methoxymethyl)-5-methylphenyl]-3-(3-thienyl)-1,3-propanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4S
InChI InChI=1S/C16H16O4S/c1-10-5-12(8-20-2)16(19)13(6-10)15(18)7-14(17)11-3-4-21-9-11/h3-6,9,19H,7-8H2,1-2H3
InChIKey XRSPBNRTMSMSTR-UHFFFAOYSA-N
Molecular Weight 304.360 g/mol
SMILES Oc1c(C(CC(c2cscc2)=O)=O)cc(cc1COC)C
SPLASH splash10-03dj-0922000000-c16b0a2406d070863d69
Source of Spectrum D8-329-493-8
Wiley ID 1516278