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2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-propionic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-propionic acid
SpectraBase Compound ID BQ8u5AzmRYy
InChI InChI=1S/C10H16N4O2S/c1-7(9(15)16)17-10-11-12-13-14(10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKey ZUJQHSWZNUSBNZ-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C10H16N4O2S
Exact Mass 256.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5gPiYGO4cN
Name propanoic acid, 2-[(1-cyclohexyl-1H-tetrazol-5-yl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.099396943 u
Formula C10H16N4O2S
InChI InChI=1S/C10H16N4O2S/c1-7(9(15)16)17-10-11-12-13-14(10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKey ZUJQHSWZNUSBNZ-UHFFFAOYSA-N
Molecular Weight 256.324 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10648
Solvent DMSO-d6
Source Vendor ID: NMR/10252303; Lab Info: LD; Lab Number: LD-P430020