p-Anisaldehyde 4-[1-adamantyl]-3-thiosemicarbazone

SpectraBase Compound ID	3LusMNG6AFB
InChI	InChI=1S/C19H25N3OS/c1-23-17-4-2-13(3-5-17)12-20-22-18(24)21-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,12,14-16H,6-11H2,1H3,(H2,21,22,24)/b20-12+
InChIKey	KCBMFHLQLQBLHX-UDWIEESQSA-N Google Search
Mol Weight	343.49 g/mol
Molecular Formula	C19H25N3OS
Exact Mass	343.171834 g/mol

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SpectraBase Spectrum ID	CT8J26jWkHQ
Name	p-Anisaldehyde 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	343.171833610 u
Formula	C19H25N3OS
InChI	InChI=1S/C19H25N3OS/c1-23-17-4-2-13(3-5-17)12-20-22-18(24)21-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,12,14-16H,6-11H2,1H3,(H2,21,22,24)/b20-12+
InChIKey	KCBMFHLQLQBLHX-UDWIEESQSA-N
Molecular Weight	343.489 g/mol
SMILES	C12CC3CC(C2)(NC(N\N=C\C2=CC=C(C=C2)OC)=S)CC(C1)C3
Spectrum/Structure Validation Score (Vapor Phase IR)	0.869687