For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(p-Methylphenyl)-5-pentamethylene-4-(2-methylenepropyl)-1,2,4-triazolidin-3-thione
SpectraBase Compound ID 56ypDC9bH37
InChI InChI=1S/C18H25N3S/c1-14(2)13-20-17(22)21(16-9-7-15(3)8-10-16)19-18(20)11-5-4-6-12-18/h7-10,19H,1,4-6,11-13H2,2-3H3
InChIKey QEXHGBXUMXETSL-UHFFFAOYSA-N
Mol Weight 315.48 g/mol
Molecular Formula C18H25N3S
Exact Mass 315.176919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6c6z49qi54F
Name 2-(p-Methylphenyl)-5-pentamethylene-4-(2-methylenepropyl)-1,2,4-triazolidin-3-thione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N3S
InChI InChI=1S/C18H25N3S/c1-14(2)13-20-17(22)21(16-9-7-15(3)8-10-16)19-18(20)11-5-4-6-12-18/h7-10,19H,1,4-6,11-13H2,2-3H3
InChIKey QEXHGBXUMXETSL-UHFFFAOYSA-N
Molecular Weight 315.479 g/mol
SMILES N1N(C(N(C11CCCCC1)CC(=C)C)=S)c1ccc(cc1)C
SPLASH splash10-014i-7592000000-14693c6d4c1713829ad8
Source of Spectrum O-26-846-4
Synonyms 2-(4-Methylphenyl)-4-(2-methyl-2-propenyl)-1,2,4-triazaspiro[4.5]decane-3-thione
Wiley ID 1316071