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

*Links on SpectraBase are not permalinks.

1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl N-ethyl-N'-(4-methoxyphenyl)imidothiocarbamate

View entire compound with spectra: 2 NMR

1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl N-ethyl-N'-(4-methoxyphenyl)imidothiocarbamate
SpectraBase Compound ID 2F9QZSHSKIZ
InChI InChI=1S/C26H33N3O4S/c1-4-6-7-8-17-33-22-15-11-20(12-16-22)29-24(30)18-23(25(29)31)34-26(27-5-2)28-19-9-13-21(32-3)14-10-19/h9-16,23H,4-8,17-18H2,1-3H3,(H,27,28)
InChIKey YOGOAOBEWOADIF-UHFFFAOYSA-N
Mol Weight 483.6 g/mol
Molecular Formula C26H33N3O4S
Exact Mass 483.219178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HeLuyWTsUYH
Name 1-[4-(Hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl N-ethyl-N'-(4-methoxyphenyl)imidothiocarbamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.219177725 u
Formula C26H33N3O4S
InChI InChI=1S/C26H33N3O4S/c1-4-6-7-8-17-33-22-15-11-20(12-16-22)29-24(30)18-23(25(29)31)34-26(27-5-2)28-19-9-13-21(32-3)14-10-19/h9-16,23H,4-8,17-18H2,1-3H3,(H,27,28)
InChIKey YOGOAOBEWOADIF-UHFFFAOYSA-N
Molecular Weight 483.627 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)C1=CC=C(C=C1)OCCCCCC)=O)=N/C1=CC=C(C=C1)OC)CC