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6-Methylheptyl phenyl sulfide

View entire compound with spectra: 1 MS (GC)

6-Methylheptyl phenyl sulfide
SpectraBase Compound ID 9VsZVEctgMI
InChI InChI=1S/C14H22S/c1-13(2)9-5-4-8-12-15-14-10-6-3-7-11-14/h3,6-7,10-11,13H,4-5,8-9,12H2,1-2H3
InChIKey DSGWMEDLRHUOOO-UHFFFAOYSA-N
Mol Weight 222.39 g/mol
Molecular Formula C14H22S
Exact Mass 222.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2hcpnStnig
Name 6-Methylheptyl phenyl sulfide
Alternate Name(s) [(6-Methylheptyl)sulfanyl]benzene 6-Methylheptylsulfanylbenzene
CAS Registry Number 68900-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22S
InChI InChI=1S/C14H22S/c1-13(2)9-5-4-8-12-15-14-10-6-3-7-11-14/h3,6-7,10-11,13H,4-5,8-9,12H2,1-2H3
InChIKey DSGWMEDLRHUOOO-UHFFFAOYSA-N
Molecular Weight 222.390 g/mol
SMILES c1(SCCCCCC(C)C)ccccc1
SPLASH splash10-03kc-5930000000-fc28dfea380d59889b49
Source of Spectrum J-44-1027-0
Wiley ID 1223018