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4-(4-Methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene
SpectraBase Compound ID GfRrvjlBW8g
InChI InChI=1S/C15H16S/c1-11-5-7-12(8-6-11)13-3-2-4-15-14(13)9-10-16-15/h5-10,13H,2-4H2,1H3
InChIKey NIPMDTSJLBFJDQ-UHFFFAOYSA-N
Mol Weight 228.35 g/mol
Molecular Formula C15H16S
Exact Mass 228.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nOX1YAzhZM
Name 4-(4-Methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene
CAS Registry Number 113386-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16S
InChI InChI=1S/C15H16S/c1-11-5-7-12(8-6-11)13-3-2-4-15-14(13)9-10-16-15/h5-10,13H,2-4H2,1H3
InChIKey NIPMDTSJLBFJDQ-UHFFFAOYSA-N
Molecular Weight 228.353 g/mol
SMILES c12c(scc2)CCCC1c1ccc(cc1)C
SPLASH splash10-002r-1790000000-893f056597e29cdadbf9
Source of Spectrum Y-24-1212-13
Synonyms 4-(p-tolyl)-4,5,6,7-tetrahydrobenzothiophene
Wiley ID 1230219