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2,4-Dimethyl-5-pentamethylene-1,2,4-triazolidin-3-thione
SpectraBase Compound ID IhM5J7eS9fs
InChI InChI=1S/C9H17N3S/c1-11-8(13)12(2)10-9(11)6-4-3-5-7-9/h10H,3-7H2,1-2H3
InChIKey NKJCBBNLYWCGRH-UHFFFAOYSA-N
Mol Weight 199.32 g/mol
Molecular Formula C9H17N3S
Exact Mass 199.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qw7iDdZwvU
Name 2,4-Dimethyl-5-pentamethylene-1,2,4-triazolidin-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17N3S
InChI InChI=1S/C9H17N3S/c1-11-8(13)12(2)10-9(11)6-4-3-5-7-9/h10H,3-7H2,1-2H3
InChIKey NKJCBBNLYWCGRH-UHFFFAOYSA-N
Molecular Weight 199.316 g/mol
SMILES N1N(C(N(C11CCCCC1)C)=S)C
SPLASH splash10-0zfv-7900000000-160ab92402df26bca038
Source of Spectrum O-26-846-17
Synonyms 2,4-Dimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
Wiley ID 1196599