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N'-benzyl-N-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-N-methylthiourea
SpectraBase Compound ID 5oP4CInNzHO
InChI InChI=1S/C20H22N2O4S/c1-22(20(27)21-11-14-6-4-3-5-7-14)9-8-15-10-17-19(26-13-25-17)18(24-2)16(15)12-23/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,21,27)
InChIKey LFEHNFNWGHUURY-UHFFFAOYSA-N
Mol Weight 386.47 g/mol
Molecular Formula C20H22N2O4S
Exact Mass 386.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Dyfwq2jMsq
Name N'-benzyl-N-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-N-methylthiourea
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H22N2O4S/c1-22(20(27)21-11-14-6-4-3-5-7-14)9-8-15-10-17-19(26-13-25-17)18(24-2)16(15)12-23/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,21,27)
InChIKey LFEHNFNWGHUURY-UHFFFAOYSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_5623
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: D23153; Labnumber: NC98SP32-1412; SBI_ID: SBI-005625
Temperature 318 °C