For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(4-Bromobenzoyl)-4-(1-adamantyl)-3-thiosemicarbazide
SpectraBase Compound ID EAoSNJkR7dV
InChI InChI=1S/C18H22BrN3OS/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 CMTKZQPEDRUKIE-MCXHQAMOSA-N
Mol Weight 408.36 g/mol
Molecular Formula C18H22BrN3OS
Exact Mass 407.066697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1HeOvAAM4MJ
Name 1-(4-Bromobenzoyl)-4-(1-adamantyl)-3-thiosemicarbazide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22BrN3OS
InChI InChI=1S/C18H22BrN3OS/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 CMTKZQPEDRUKIE-MCXHQAMOSA-N
Molecular Weight 408.358 g/mol
SMILES N(C(NNC(c1ccc(cc1)Br)=O)=S)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-0019-5900000000-1d7602ec326d0190fb96
Source of Spectrum EMC-42-240-7d
Synonyms N-((3s,5s,7s)-adamantan-1-yl)-2-(4-bromobenzoyl)hydrazinecarbothioamide 1-(1-adamantyl)-3-[[(4-bromophenyl)-oxomethyl]amino]thiourea 1-(1-adamantyl)-3-[(4-bromophenyl)carbonylamino]thiourea
Wiley ID 1735157