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1-(4-Chlorobenzoyl)-4-(1-adamantyl)-3-thiosemicarbazide

View entire compound with spectra: 1 MS (GC)

1-(4-Chlorobenzoyl)-4-(1-adamantyl)-3-thiosemicarbazide
SpectraBase Compound ID 8Iacq6Tr5QB
InChI InChI=1S/C18H22ClN3OS/c19-15-3-1-14(2-4-15)16(23)21-22-17(24)20-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,21,23)(H2,20,22,24)/t11-,12+,13-,18-
InChIKey WXSCNMHHFAVPJF-MCXHQAMOSA-N
Mol Weight 363.91 g/mol
Molecular Formula C18H22ClN3OS
Exact Mass 363.117211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8whGmfSZeLP
Name 1-(4-Chlorobenzoyl)-4-(1-adamantyl)-3-thiosemicarbazide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22ClN3OS
InChI InChI=1S/C18H22ClN3OS/c19-15-3-1-14(2-4-15)16(23)21-22-17(24)20-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,21,23)(H2,20,22,24)/t11-,12+,13-,18-
InChIKey WXSCNMHHFAVPJF-MCXHQAMOSA-N
Molecular Weight 363.907 g/mol
SMILES N(C(NNC(c1ccc(cc1)Cl)=O)=S)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-01p6-3900000000-3937ec9d951f866fc0a1
Source of Spectrum EMC-42-240-7c
Synonyms N-((3s,5s,7s)-adamantan-1-yl)-2-(4-chlorobenzoyl)hydrazinecarbothioamide 1-(1-adamantyl)-3-[[(4-chlorophenyl)-oxomethyl]amino]thiourea 1-(1-adamantyl)-3-[(4-chlorophenyl)carbonylamino]thiourea
Wiley ID 1735158