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rel-3(r),cis-5-Diethyl-trans-3,trans-5-dimethyl-3,5-dihydro-4H-pyrazole-4-thione
SpectraBase Compound ID 1gUtDIADAkO
InChI InChI=1S/C9H16N2S/c1-5-8(3)7(12)9(4,6-2)11-10-8/h5-6H2,1-4H3/t8-,9+
InChIKey LQZAXVVQLREOEN-DTORHVGOSA-N
Mol Weight 184.3 g/mol
Molecular Formula C9H16N2S
Exact Mass 184.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GDayi9jAO3
Name rel-3(r),cis-5-Diethyl-trans-3,trans-5-dimethyl-3,5-dihydro-4H-pyrazole-4-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16N2S
InChI InChI=1S/C9H16N2S/c1-5-8(3)7(12)9(4,6-2)11-10-8/h5-6H2,1-4H3/t8-,9+
InChIKey LQZAXVVQLREOEN-DTORHVGOSA-N
Literature Reference DOI 10.1002/cber.19911240813
Molecular Weight 184.301 g/mol
SMILES [C@@]1(N=N[C@](C1=S)(C)CC)(CC)C
SPLASH splash10-0a5a-8900000000-e70347fb1c81f42ff6b6
Source of Spectrum K-124-1754-cis_7b
Synonyms (3R,5S)-3,5-diethyl-3,5-dimethyl-3,5-dihydro-4H-pyrazole-4-thione
Wiley ID 1792229