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Acetphenone 4-[1-adamantyl]-3-thiosemicarbazone

View entire compound with spectra: 1 NMR, and 1 FTIR

Acetphenone 4-[1-adamantyl]-3-thiosemicarbazone
SpectraBase Compound ID LyWLkNzWzz1
InChI InChI=1S/C19H25N3S/c1-13(17-5-3-2-4-6-17)21-22-18(23)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,14-16H,7-12H2,1H3,(H2,20,22,23)/b21-13+
InChIKey JKUXPOPBOILPSG-FYJGNVAPSA-N
Mol Weight 327.49 g/mol
Molecular Formula C19H25N3S
Exact Mass 327.176919 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID cfiOY6djiV
Name Acetphenone 4-[1-adamantyl]-3-thiosemicarbazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.176918991 u
Formula C19H25N3S
InChI InChI=1S/C19H25N3S/c1-13(17-5-3-2-4-6-17)21-22-18(23)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,14-16H,7-12H2,1H3,(H2,20,22,23)/b21-13+
InChIKey JKUXPOPBOILPSG-FYJGNVAPSA-N
Molecular Weight 327.490 g/mol
SMILES C1=CC=CC(=C1)\C(=N\NC(NC12CC3CC(C2)CC(C1)C3)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812012