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2-(p-Methoxyphenyl)-5-pentamethylene-4-(2-methylenepropyl)-1,2,4-triazolidin-3-thione
SpectraBase Compound ID 3UuIAaO0utZ
InChI InChI=1S/C18H25N3OS/c1-5-6-7-8-17-19-21(18(23)20(17)13-14(2)3)15-9-11-16(22-4)12-10-15/h8-12,19H,2,5-7,13H2,1,3-4H3/b17-8+
InChIKey HGQWNIHUADTIFU-CAOOACKPSA-N
Mol Weight 331.48 g/mol
Molecular Formula C18H25N3OS
Exact Mass 331.171834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mCZoxDkIRn
Name 2-(p-Methoxyphenyl)-5-pentamethylene-4-(2-methylenepropyl)-1,2,4-triazolidin-3-thione
Alternate Name(s) (5Z)-2-(4-methoxyphenyl)-4-(2-methyl-2-propenyl)-5-pentylidene-1,2,4-triazolidine-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N3OS
InChI InChI=1S/C18H25N3OS/c1-5-6-7-8-17-19-21(18(23)20(17)13-14(2)3)15-9-11-16(22-4)12-10-15/h8-12,19H,2,5-7,13H2,1,3-4H3/b17-8+
InChIKey HGQWNIHUADTIFU-CAOOACKPSA-N
Molecular Weight 331.478 g/mol
SMILES N1N(C(N(\C1=C/CCCC)CC(=C)C)=S)c1ccc(cc1)OC
SPLASH splash10-00si-5982000000-add633b7d61ea8b9710c
Source of Spectrum O-26-846-6
Wiley ID 1328721