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N-(2-((4-chlorophenyl)thio)-4-(tert-pentyl)cyclohex-1-en-1-yl)acetamide
SpectraBase Compound ID GLggIEq2DN2
InChI InChI=1S/C19H26ClNOS/c1-5-19(3,4)14-6-11-17(21-13(2)22)18(12-14)23-16-9-7-15(20)8-10-16/h7-10,14H,5-6,11-12H2,1-4H3,(H,21,22)
InChIKey ACHHFZQPYYMRPW-UHFFFAOYSA-N
Mol Weight 351.94 g/mol
Molecular Formula C19H26ClNOS
Exact Mass 351.142363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DjEMGg79qj
Name N-(2-((4-chlorophenyl)thio)-4-(tert-pentyl)cyclohex-1-en-1-yl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26ClNOS
InChI InChI=1S/C19H26ClNOS/c1-5-19(3,4)14-6-11-17(21-13(2)22)18(12-14)23-16-9-7-15(20)8-10-16/h7-10,14H,5-6,11-12H2,1-4H3,(H,21,22)
InChIKey ACHHFZQPYYMRPW-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob01970a
Molecular Weight 351.936 g/mol
SMILES N(C1=C(CC(CC1)C(C)(CC)C)Sc1ccc(cc1)Cl)C(=O)C
SPLASH splash10-0a4i-1090000000-f5dcf6f2f9afab6d4055
Source of Spectrum F5-12-9519/SMS10-4g
Wiley ID 1756021