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2-[(hexahydro-1H-azepin-1-ylcarbothioyl)sulfanyl]propanoic acid
SpectraBase Compound ID 9ErczGpG1I1
InChI InChI=1S/C10H17NO2S2/c1-8(9(12)13)15-10(14)11-6-4-2-3-5-7-11/h8H,2-7H2,1H3,(H,12,13)
InChIKey IYNFJAREUQGZPT-UHFFFAOYSA-N
Mol Weight 247.37 g/mol
Molecular Formula C10H17NO2S2
Exact Mass 247.070071 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Im0TtzPfaPw
Name 2-[(hexahydro-1H-azepin-1-ylcarbothioyl)sulfanyl]propanoic 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/C10H17NO2S2/c1-8(9(12)13)15-10(14)11-6-4-2-3-5-7-11/h8H,2-7H2,1H3,(H,12,13)
InChIKey IYNFJAREUQGZPT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4119
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: 120871; Labnumber: REA15-0909; VK_ID: VK-004120
Temperature 308 °C