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2-((4-tert-Butylphenyl)ethynyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
SpectraBase Compound ID 9d7MQap9out
InChI InChI=1S/C21H23NOS/c1-21(2,3)15-11-8-14(9-12-15)10-13-18-19(20(22)23)16-6-4-5-7-17(16)24-18/h8-9,11-12H,4-7H2,1-3H3,(H2,22,23)
InChIKey LEVCINANJYDQMI-UHFFFAOYSA-N
Mol Weight 337.48 g/mol
Molecular Formula C21H23NOS
Exact Mass 337.150036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B47Bvmd1HN2
Name 2-((4-tert-Butylphenyl)ethynyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NOS
InChI InChI=1S/C21H23NOS/c1-21(2,3)15-11-8-14(9-12-15)10-13-18-19(20(22)23)16-6-4-5-7-17(16)24-18/h8-9,11-12H,4-7H2,1-3H3,(H2,22,23)
InChIKey LEVCINANJYDQMI-UHFFFAOYSA-N
Molecular Weight 337.481 g/mol
SMILES NC(c1c(sc2c1CCCC2)C#Cc1ccc(C(C)(C)C)cc1)=O
SPLASH splash10-000i-0009000000-af1a8197f19f5521cbdc
Source of Spectrum F-69-3180-8d
Synonyms 2-((4-(tert-butyl)phenyl)ethynyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Wiley ID 1737946