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2-Propanone, 1,1-bis(ethylthio)-3-hydroxy-3-(4-methoxyphenyl)-, (.+-.)-
SpectraBase Compound ID 2O9m6a0EXCM
InChI InChI=1S/C14H20O3S2/c1-4-18-14(19-5-2)13(16)12(15)10-6-8-11(17-3)9-7-10/h6-9,12,14-15H,4-5H2,1-3H3
InChIKey APTYAFZOQNKXFR-UHFFFAOYSA-N
Mol Weight 300.43 g/mol
Molecular Formula C14H20O3S2
Exact Mass 300.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvQotgkiNFt
Name 2-Propanone, 1,1-bis(ethylthio)-3-hydroxy-3-(4-methoxyphenyl)-, (.+-.)-
CAS Registry Number 130718-84-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3S2
InChI InChI=1S/C14H20O3S2/c1-4-18-14(19-5-2)13(16)12(15)10-6-8-11(17-3)9-7-10/h6-9,12,14-15H,4-5H2,1-3H3
InChIKey APTYAFZOQNKXFR-UHFFFAOYSA-N
Molecular Weight 300.431 g/mol
SMILES OC(C(C(SCC)SCC)=O)c1ccc(cc1)OC
SPLASH splash10-000i-0900000000-6bd9b81adb6ba5d1536e
Source of Spectrum B-43-1213-0
Synonyms 1,1-bis(ethylsulfanyl)-3-hydroxy-3-(4-methoxyphenyl)acetone rac-1,1-bis(ethylthio)-3-hydroxy-3-(4-methoxyphenyl)propan-2-one
Wiley ID 1302533