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N-(2-(butylthio)-4-methylphenyl)benzamide
SpectraBase Compound ID 6gp71qsLm3X
InChI InChI=1S/C18H21NOS/c1-3-4-12-21-17-13-14(2)10-11-16(17)19-18(20)15-8-6-5-7-9-15/h5-11,13H,3-4,12H2,1-2H3,(H,19,20)
InChIKey OPTNXUXSHPUQQP-UHFFFAOYSA-N
Mol Weight 299.43 g/mol
Molecular Formula C18H21NOS
Exact Mass 299.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MriYFW2S6I
Name N-(2-(butylthio)-4-methylphenyl)benzamide
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.134385473 u
Formula C18H21NOS
GC Oven Program Oven temp 290 oC or 320 oC
InChI InChI=1S/C18H21NOS/c1-3-4-12-21-17-13-14(2)10-11-16(17)19-18(20)15-8-6-5-7-9-15/h5-11,13H,3-4,12H2,1-2H3,(H,19,20)
InChIKey OPTNXUXSHPUQQP-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C VL/5975 inert GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.201609393
Molecular Weight 299.432 g/mol
SMILES N(C1=CC=C(C=C1SCCCC)C)C(=O)C=1C=CC=CC1
SPLASH splash10-054k-2920000000-707a6d239f6abdba4903
Source of Spectrum ACI-56-SM45-6e (DOI: 10.1002/anie.201609393)
Thin-Layer Chromatography 0.32 (pentane/EtOAc, 9:1)
Wiley ID 1892808