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1-(1,3-dioxan-2-yl)-5-(phenylthio)-3-pentanone
SpectraBase Compound ID K2xbVFjVTOc
InChI InChI=1S/C15H20O3S/c16-13(7-8-15-17-10-4-11-18-15)9-12-19-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-12H2
InChIKey RWFOXYJVFJBSGK-UHFFFAOYSA-N
Mol Weight 280.38 g/mol
Molecular Formula C15H20O3S
Exact Mass 280.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zzu8Z6ZeUW
Name 1-(1,3-dioxan-2-yl)-5-(phenylthio)-3-pentanone
Alternate Name(s) 1-(1,3-dioxan-2-yl)-5-(phenylthio)pentan-3-one 1-(1,3-dioxan-2-yl)-5-phenylsulfanyl-pentan-3-one
CAS Registry Number 108643-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3S
InChI InChI=1S/C15H20O3S/c16-13(7-8-15-17-10-4-11-18-15)9-12-19-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-12H2
InChIKey RWFOXYJVFJBSGK-UHFFFAOYSA-N
Molecular Weight 280.382 g/mol
SMILES C1(OCCCO1)CCC(=O)CCSc1ccccc1
SPLASH splash10-0f9i-9500000000-06f429c3f74a15435458
Source of Spectrum B-41-893-25
Wiley ID 1283757