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Adamantane-1-carboxylic acid (2-methyl-4-thiocyanato-phenyl)-amide
SpectraBase Compound ID K7P4DuA1PzZ
InChI InChI=1S/C19H22N2OS/c1-12-4-16(23-11-20)2-3-17(12)21-18(22)19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-10H2,1H3,(H,21,22)/t13-,14+,15-,19-
InChIKey AWKGKUYQISDLHA-CSVIQDERSA-N
Mol Weight 326.46 g/mol
Molecular Formula C19H22N2OS
Exact Mass 326.145285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bd4zwAhrWUI
Name Adamantane-1-carboxylic acid (2-methyl-4-thiocyanato-phenyl)-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2OS
InChI InChI=1S/C19H22N2OS/c1-12-4-16(23-11-20)2-3-17(12)21-18(22)19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-10H2,1H3,(H,21,22)/t13-,14+,15-,19-
InChIKey AWKGKUYQISDLHA-CSVIQDERSA-N
Molecular Weight 326.458 g/mol
SMILES N(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)c1c(cc(SC#N)cc1)C
SPLASH splash10-000i-2902000000-0ab3f365eb24510bf0b4
Synonyms thiocyanic acid [4-[[1-adamantyl(oxo)methyl]amino]-3-methylphenyl] ester [4-(adamantane-1-carbonylamino)-3-methylphenyl] thiocyanate [4-(adamantane-1-carbonylamino)-3-methyl-phenyl] thiocyanate [4-(1-adamantylcarbonylamino)-3-methyl-phenyl] thiocyanate
Wiley ID 1461347