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4-(methylthio)-N-octylaniline
SpectraBase Compound ID 4hcbvzfiDps
InChI InChI=1S/C15H25NS/c1-3-4-5-6-7-8-13-16-14-9-11-15(17-2)12-10-14/h9-12,16H,3-8,13H2,1-2H3
InChIKey WXUXPWIEDVRPKI-UHFFFAOYSA-N
Mol Weight 251.43 g/mol
Molecular Formula C15H25NS
Exact Mass 251.170771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbMCYpeKzea
Name 4-(methylthio)-N-octylaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25NS
GC Column HP-5 (30 m x 250 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C15H25NS/c1-3-4-5-6-7-8-13-16-14-9-11-15(17-2)12-10-14/h9-12,16H,3-8,13H2,1-2H3
InChIKey WXUXPWIEDVRPKI-UHFFFAOYSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201603681
Molecular Weight 251.432 g/mol
Quality 55
Reported Formula C15H25NS
SMILES N(C1=CC=C(SC)C=C1)CCCCCCCC
SPLASH splash10-0udi-0940000000-c328b4fc972a7aae9c28
Source of Spectrum ACI-55-SM19-19-5 (DOI: 10.1002/anie.201603681)
Wiley ID 1899155