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1-Propanone, 1-cycloheptyl-3-(phenylthio)-
SpectraBase Compound ID A84sFy8vvcC
InChI InChI=1S/C16H22OS/c17-16(14-8-4-1-2-5-9-14)12-13-18-15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2
InChIKey IXAXRPXVSWDUSP-UHFFFAOYSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LZuFqkvPnk
Name 1-Propanone, 1-cycloheptyl-3-(phenylthio)-
Alternate Name(s) 1-cycloheptyl-3-(phenylsulfanyl)-1-propanone 1-Cycloheptyl-3-phenylthio-1-propanone
CAS Registry Number 70910-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c17-16(14-8-4-1-2-5-9-14)12-13-18-15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2
InChIKey IXAXRPXVSWDUSP-UHFFFAOYSA-N
Molecular Weight 262.411 g/mol
SMILES C(=O)(C1CCCCCC1)CCSc1ccccc1
SPLASH splash10-08ms-9750000000-7fe5e0eb173a0eb1e151
Source of Spectrum AJ-60-308-33
Wiley ID 1266087