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N,N-Dimethyl-3-[naphthylthio]-3-phenylpropylamine
SpectraBase Compound ID 7FCeqHzQ63Z
InChI InChI=1S/C21H23NS/c1-22(2)16-15-20(18-10-4-3-5-11-18)23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3
InChIKey QDNSPVXAMXDFFB-UHFFFAOYSA-N
Mol Weight 321.48 g/mol
Molecular Formula C21H23NS
Exact Mass 321.155121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ozscQAfB02
Name N,N-Dimethyl-3-[naphthylthio]-3-phenylpropylamine
Comments Removed - expert review: contamination (acetone)); Note: The molecular formula of the structure shown is C21H23NS - which differs from the formula reported for the mass spectrum (C25H27NO4S)
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Formula C25H27NO4S
InChI InChI=1S/C21H23NS/c1-22(2)16-15-20(18-10-4-3-5-11-18)23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3
InChIKey QDNSPVXAMXDFFB-UHFFFAOYSA-N
Molecular Weight 321.482 g/mol
SMILES CN(C)CCC(c1ccccc1)Sc1cccc2ccccc12
SPLASH splash10-0a4i-9000000000-b07809f1a77e891293fa
Source of Spectrum G-56-1528-0
Wiley ID 748284