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2-(cyclohexyl(4-methoxyphenyl)methyl)-3-methylbenzo[b]thiophene
SpectraBase Compound ID 9lcmsD4tQhr
InChI InChI=1S/C23H26OS/c1-16-20-10-6-7-11-21(20)25-23(16)22(17-8-4-3-5-9-17)18-12-14-19(24-2)15-13-18/h6-7,10-15,17,22H,3-5,8-9H2,1-2H3
InChIKey AYLRSLHWXNCPEA-UHFFFAOYSA-N
Mol Weight 350.52 g/mol
Molecular Formula C23H26OS
Exact Mass 350.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQBBY21kBLn
Name 2-(cyclohexyl(4-methoxyphenyl)methyl)-3-methylbenzo[b]thiophene
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26OS
InChI InChI=1S/C23H26OS/c1-16-20-10-6-7-11-21(20)25-23(16)22(17-8-4-3-5-9-17)18-12-14-19(24-2)15-13-18/h6-7,10-15,17,22H,3-5,8-9H2,1-2H3
InChIKey AYLRSLHWXNCPEA-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202016268
Molecular Weight 350.520 g/mol
SMILES c1cc(ccc1OC)C(c1sc2c(c1C)cccc2)C1CCCCC1
SPLASH splash10-014i-0090000000-7f13994127e2ec7d0e64
Source of Spectrum ACI-60-SM49-5n
Wiley ID 1880307