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1-Benzothiophene-2-carboxamide, 3-chloro-N-[2-(tricyclo[3.3.1.1(3,7)]dec-1-yloxy)propyl]-
SpectraBase Compound ID 81CGrRAqUBF
InChI InChI=1S/C22H26ClNO2S/c1-13(26-22-9-14-6-15(10-22)8-16(7-14)11-22)12-24-21(25)20-19(23)17-4-2-3-5-18(17)27-20/h2-5,13-16H,6-12H2,1H3,(H,24,25)/t13?,14-,15+,16-,22-
InChIKey QZYQUANVAVJBEC-SMUGTKPCSA-N
Mol Weight 403.97 g/mol
Molecular Formula C22H26ClNO2S
Exact Mass 403.137278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jl5NmYQDxWr
Name 1-Benzothiophene-2-carboxamide, 3-chloro-N-[2-(tricyclo[3.3.1.1(3,7)]dec-1-yloxy)propyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26ClNO2S
InChI InChI=1S/C22H26ClNO2S/c1-13(26-22-9-14-6-15(10-22)8-16(7-14)11-22)12-24-21(25)20-19(23)17-4-2-3-5-18(17)27-20/h2-5,13-16H,6-12H2,1H3,(H,24,25)/t13?,14-,15+,16-,22-
InChIKey QZYQUANVAVJBEC-SMUGTKPCSA-N
Molecular Weight 403.968 g/mol
SMILES N(CC(C)OC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])C(=O)c1sc2c(c1Cl)cccc2
SPLASH splash10-000i-5900000000-fb966918fe6b66e08dd1
Source of Spectrum IY-1-4480-3
Synonyms N-[2-(1-adamantyloxy)propyl]-3-chloro-1-benzothiophene-2-carboxamide N-[2-(1-adamantyloxy)propyl]-3-chloranyl-1-benzothiophene-2-carboxamide
Wiley ID 1652786