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1-(4-Fluorobenzoyl)-4-(1-adamantyl)-3-thiosemicarbazide
SpectraBase Compound ID 1QeH8rfYBxy
InChI InChI=1S/C18H22FN3OS/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 NHANFOUSFOEPOJ-MCXHQAMOSA-N
Mol Weight 347.45 g/mol
Molecular Formula C18H22FN3OS
Exact Mass 347.146762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2192Hvgmd3D
Name 1-(4-Fluorobenzoyl)-4-(1-adamantyl)-3-thiosemicarbazide
Alternate Name(s) N-((3s,5s,7s)-adamantan-1-yl)-2-(4-fluorobenzoyl)hydrazinecarbothioamide 1-(1-adamantyl)-3-[[(4-fluorophenyl)-oxomethyl]amino]thiourea 1-(1-adamantyl)-3-[(4-fluorophenyl)carbonylamino]thiourea
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Formula C18H22FN3OS
InChI InChI=1S/C18H22FN3OS/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 NHANFOUSFOEPOJ-MCXHQAMOSA-N
Molecular Weight 347.452 g/mol
SMILES N(C(NNC(c1ccc(cc1)F)=O)=S)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-007d-5900000000-9eab2abb6f27063e595d
Source of Spectrum EMC-42-240-7b
Wiley ID 1735159