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2-(p-Methylphenyl)-5-tetramethylene-4-(2-methylenepropyl)-1,2,4-triazolidin-3-thione
SpectraBase Compound ID ICJjo4RYDeD
InChI InChI=1S/C17H23N3S/c1-13(2)12-19-16(21)20(15-8-6-14(3)7-9-15)18-17(19)10-4-5-11-17/h6-9,18H,1,4-5,10-12H2,2-3H3
InChIKey PEPWKCVOKXLLPR-UHFFFAOYSA-N
Mol Weight 301.45 g/mol
Molecular Formula C17H23N3S
Exact Mass 301.161269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrWEg1NCCHj
Name 2-(p-Methylphenyl)-5-tetramethylene-4-(2-methylenepropyl)-1,2,4-triazolidin-3-thione
Alternate Name(s) 2-(4-Methylphenyl)-4-(2-methyl-2-propenyl)-1,2,4-triazaspiro[4.4]nonane-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23N3S
InChI InChI=1S/C17H23N3S/c1-13(2)12-19-16(21)20(15-8-6-14(3)7-9-15)18-17(19)10-4-5-11-17/h6-9,18H,1,4-5,10-12H2,2-3H3
InChIKey PEPWKCVOKXLLPR-UHFFFAOYSA-N
Molecular Weight 301.452 g/mol
SMILES N1N(C(N(C11CCCC1)CC(=C)C)=S)c1ccc(cc1)C
SPLASH splash10-0pvl-8892000000-0cd9b83f115bcdccc1d3
Source of Spectrum O-26-846-3
Wiley ID 1303903