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benzoic acid, 4-[5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1H-tetrazol-1-yl]-, propyl ester
SpectraBase Compound ID 6pxhVHwusWv
InChI InChI=1S/C17H21N5O4S/c1-2-9-26-16(24)13-3-5-14(6-4-13)22-17(18-19-20-22)27-12-15(23)21-7-10-25-11-8-21/h3-6H,2,7-12H2,1H3
InChIKey DWXNSIKSTIYJOD-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C17H21N5O4S
Exact Mass 391.131425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6YxGqu5e8ya
Name benzoic acid, 4-[5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1H-tetrazol-1-yl]-, propyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.131425346 u
Formula C17H21N5O4S
InChI InChI=1S/C17H21N5O4S/c1-2-9-26-16(24)13-3-5-14(6-4-13)22-17(18-19-20-22)27-12-15(23)21-7-10-25-11-8-21/h3-6H,2,7-12H2,1H3
InChIKey DWXNSIKSTIYJOD-UHFFFAOYSA-N
Molecular Weight 391.446 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6582
Solvent DMSO-d6
Source Vendor ID: NMR/9291364; Lab Info: LP; Lab Number: LP-3701065