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3-Nonanone, 4-(phenylthio)-
SpectraBase Compound ID GHreMpnKbV1
InChI InChI=1S/C15H22OS/c1-3-5-7-12-15(14(16)4-2)17-13-10-8-6-9-11-13/h6,8-11,15H,3-5,7,12H2,1-2H3
InChIKey RITJOTDEOGJZGD-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 5oHXkXD4M78
Name 3-Nonanone, 4-(phenylthio)-
Alternate Name(s) 4-(Phenylsulfanyl)-3-nonanone 4-Phenylthio-3-nonanone
CAS Registry Number 95110-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-3-5-7-12-15(14(16)4-2)17-13-10-8-6-9-11-13/h6,8-11,15H,3-5,7,12H2,1-2H3
InChIKey RITJOTDEOGJZGD-UHFFFAOYSA-N
Molecular Weight 250.400 g/mol
SMILES C(Sc1ccccc1)(C(=O)CC)CCCCC
SPLASH splash10-006x-1910000000-a0f06d703aff7729fabd
Source of Spectrum AJ-58-2853-5
Wiley ID 1253533