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methyl (4-{[(cycloheptylamino)carbothioyl]amino}phenyl)acetate
SpectraBase Compound ID 52Dd6xyheta
InChI InChI=1S/C17H24N2O2S/c1-21-16(20)12-13-8-10-15(11-9-13)19-17(22)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H2,18,19,22)
InChIKey UXNUDCIRLPVKSW-UHFFFAOYSA-N
Mol Weight 320.45 g/mol
Molecular Formula C17H24N2O2S
Exact Mass 320.155849 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KIpPdFrZ7RP
Name methyl (4-{[(cycloheptylamino)carbothioyl]amino}phenyl)acetate
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/C17H24N2O2S/c1-21-16(20)12-13-8-10-15(11-9-13)19-17(22)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H2,18,19,22)
InChIKey UXNUDCIRLPVKSW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11632
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: E09148; Labnumber: VGU-21235; SBI_ID: SBI-011635
Temperature 318 °C