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Acetamide, N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-fluorophenoxy)-
SpectraBase Compound ID CPZO1bbBdfT
InChI InChI=1S/C21H23FN2O2S/c1-21(2,3)13-8-9-14-15(11-23)20(27-18(14)10-13)24-19(25)12-26-17-7-5-4-6-16(17)22/h4-7,13H,8-10,12H2,1-3H3,(H,24,25)
InChIKey VKZHQUSZXZFGSG-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C21H23FN2O2S
Exact Mass 386.146427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1CLrTKr3fD
Name Acetamide, N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-fluorophenoxy)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23FN2O2S
InChI InChI=1S/C21H23FN2O2S/c1-21(2,3)13-8-9-14-15(11-23)20(27-18(14)10-13)24-19(25)12-26-17-7-5-4-6-16(17)22/h4-7,13H,8-10,12H2,1-3H3,(H,24,25)
InChIKey VKZHQUSZXZFGSG-UHFFFAOYSA-N
Molecular Weight 386.485 g/mol
SMILES N(C(=O)COc1ccccc1F)c1c(c2CCC(Cc2s1)C(C)(C)C)C#N
SPLASH splash10-0002-9610000000-1862d8ed7d992cd0c6d0
Source of Spectrum IY-1-4530-8
Synonyms N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-fluorophenoxy)acetamide N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-fluoranylphenoxy)ethanamide
Wiley ID 1653291