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homocysteine, N-benzoyl-S-methyl-, pentyl ester

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

homocysteine, N-benzoyl-S-methyl-, pentyl ester
SpectraBase Compound ID 2lo92GX0jtN
InChI InChI=1S/C17H25NO3S/c1-3-4-8-12-21-17(20)15(11-13-22-2)18-16(19)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,18,19)
InChIKey UIAGQDKQXLPDJQ-UHFFFAOYSA-N
Mol Weight 323.45 g/mol
Molecular Formula C17H25NO3S
Exact Mass 323.155515 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ay4iMd9Hwtz
Name homocysteine, N-benzoyl-S-methyl-, pentyl ester
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/C17H25NO3S/c1-3-4-8-12-21-17(20)15(11-13-22-2)18-16(19)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,18,19)
InChIKey UIAGQDKQXLPDJQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_2747
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: AG-205/5078648; Labnumber: L-23/0002945; IOH_ID: IOH-009750