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2-[(hexahydro-1H-azepin-1-ylcarbothioyl)sulfanyl]-2-methylpropanoic acid
SpectraBase Compound ID 3vA9c8cwAPM
InChI InChI=1S/C11H19NO2S2/c1-11(2,9(13)14)16-10(15)12-7-5-3-4-6-8-12/h3-8H2,1-2H3,(H,13,14)
InChIKey QFCXAXDOANVCCO-UHFFFAOYSA-N
Mol Weight 261.4 g/mol
Molecular Formula C11H19NO2S2
Exact Mass 261.085721 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EkWKbMA6xHt
Name 2-[(hexahydro-1H-azepin-1-ylcarbothioyl)sulfanyl]-2-methylpropanoic acid
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/C11H19NO2S2/c1-11(2,9(13)14)16-10(15)12-7-5-3-4-6-8-12/h3-8H2,1-2H3,(H,13,14)
InChIKey QFCXAXDOANVCCO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4118
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: 120870; Labnumber: REA15-0908; VK_ID: VK-004119
Temperature 308 °C