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2-((4-tert-Butylphenyl)ethynyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-((4-tert-Butylphenyl)ethynyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
SpectraBase Compound ID 9edMgdQA3Fv
InChI InChI=1S/C21H21NS/c1-21(2,3)16-11-8-15(9-12-16)10-13-20-18(14-22)17-6-4-5-7-19(17)23-20/h8-9,11-12H,4-7H2,1-3H3
InChIKey OHRDOZBCLGJJED-UHFFFAOYSA-N
Mol Weight 319.47 g/mol
Molecular Formula C21H21NS
Exact Mass 319.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9AVqJtOqgi
Name 2-((4-tert-Butylphenyl)ethynyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Alternate Name(s) 2-((4-(tert-butyl)phenyl)ethynyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NS
InChI InChI=1S/C21H21NS/c1-21(2,3)16-11-8-15(9-12-16)10-13-20-18(14-22)17-6-4-5-7-19(17)23-20/h8-9,11-12H,4-7H2,1-3H3
InChIKey OHRDOZBCLGJJED-UHFFFAOYSA-N
Molecular Weight 319.466 g/mol
SMILES c1(c(sc2c1CCCC2)C#Cc1ccc(C(C)(C)C)cc1)C#N
SPLASH splash10-0uxr-0019000000-c37d365ab542a4156aa0
Source of Spectrum F-69-3179-7d
Wiley ID 1737851