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3-Nonanone, 2-(phenylthio)-

View entire compound with spectra: 1 MS (GC)

3-Nonanone, 2-(phenylthio)-
SpectraBase Compound ID 15YouF4kGen
InChI InChI=1S/C15H22OS/c1-3-4-5-9-12-15(16)13(2)17-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKey PSKWNUCYFLSSKR-UHFFFAOYSA-N
Mol Weight 250.4 g/mol
Molecular Formula C15H22OS
Exact Mass 250.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9i7YcWHsQvg
Name 3-Nonanone, 2-(phenylthio)-
Alternate Name(s) 2-(Phenylthio)-3-nonanone 2-Phenylsulfanylnonan-3-one
CAS Registry Number 69358-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-3-4-5-9-12-15(16)13(2)17-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKey PSKWNUCYFLSSKR-UHFFFAOYSA-N
Molecular Weight 250.400 g/mol
SMILES C(Sc1ccccc1)(C(=O)CCCCCC)C
SPLASH splash10-000i-0900000000-80cb17cae94c3be7e777
Source of Spectrum AJ-58-2853-5
Wiley ID 1253534