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1-Phenyl-9-thioureido-3,6-diazahomoadamantane
SpectraBase Compound ID FUrDKysaoKj
InChI InChI=1S/C16H22N4S/c17-15(21)18-14-12-8-19-6-7-20(9-12)11-16(14,10-19)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H3,17,18,21)/t12-,14?,16+
InChIKey PXQXNAPPHFOWAW-MZLDPESVSA-N
Mol Weight 302.44 g/mol
Molecular Formula C16H22N4S
Exact Mass 302.156518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uOgrLQKEOo
Name 1-Phenyl-9-thioureido-3,6-diazahomoadamantane
CAS Registry Number 153464-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N4S
InChI InChI=1S/C16H22N4S/c17-15(21)18-14-12-8-19-6-7-20(9-12)11-16(14,10-19)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H3,17,18,21)/t12-,14?,16+
InChIKey PXQXNAPPHFOWAW-MZLDPESVSA-N
Molecular Weight 302.440 g/mol
SMILES N(C(=S)N)C1[C@]2(CN3C[C@@]1(CN(C2)CC3)[H])c1ccccc1
SPLASH splash10-00di-7931000000-608fbb20309664b71cb9
Wiley ID 1438082