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

*Links on SpectraBase are not permalinks.

N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methylphenyl)thiourea

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methylphenyl)thiourea
SpectraBase Compound ID 3ivUg4SRp6v
InChI InChI=1S/C16H16N2O2S/c1-11-2-5-13(6-3-11)18-16(21)17-9-12-4-7-14-15(8-12)20-10-19-14/h2-8H,9-10H2,1H3,(H2,17,18,21)
InChIKey YHPFMNQEQIJIQS-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 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 1TEfdbJKQSJ
Name 1-Benzo[1,3]dioxol-5-ylmethyl-3-p-tolyl-thiourea
Alternate Name(s) 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thiourea 1-(1,3-benzodioxol-5-ylmethyl)-3-(p-tolyl)thiourea 1-Piperonyl-3-(p-tolyl)thiourea N-(1,3-Benzodioxol-5-ylmethyl)-N'-(4-methylphenyl)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-11-2-5-13(6-3-11)18-16(21)17-9-12-4-7-14-15(8-12)20-10-19-14/h2-8H,9-10H2,1H3,(H2,17,18,21)
InChIKey YHPFMNQEQIJIQS-UHFFFAOYSA-N
Molecular Weight 300.376 g/mol
SMILES N(C(=S)NCc1cc2OCOc2cc1)c1ccc(cc1)C
SPLASH splash10-0kbr-7911000000-54014a17c29d8f41d8aa
Wiley ID 1459496