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2-hydroxy-2-(4-nitrophenyl)ethyl (1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbodithioate
SpectraBase Compound ID BESlc15mLzx
InChI InChI=1S/C20H21N3O4S2/c24-18(14-4-6-16(7-5-14)23(26)27)12-29-20(28)21-9-13-8-15(11-21)17-2-1-3-19(25)22(17)10-13/h1-7,13,15,18,24H,8-12H2
InChIKey XSIHRPQNBXXOEI-UHFFFAOYSA-N
Mol Weight 431.53 g/mol
Molecular Formula C20H21N3O4S2
Exact Mass 431.097349 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4C0ulE69SI5
Name 2-hydroxy-2-(4-nitrophenyl)ethyl (1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbodithioate
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/C20H21N3O4S2/c24-18(14-4-6-16(7-5-14)23(26)27)12-29-20(28)21-9-13-8-15(11-21)17-2-1-3-19(25)22(17)10-13/h1-7,13,15,18,24H,8-12H2
InChIKey XSIHRPQNBXXOEI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3074
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 120668; Labnumber: NCKK32-130; VK_ID: VK-003075
Synonyms 2-hydroxy-2-(4-nitrophenyl)ethyl 6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbodithioate
Temperature 305 °C