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12-benzyl-2,2-dimethyl-15-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oic acid

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12-benzyl-2,2-dimethyl-15-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oic acid
SpectraBase Compound ID HD559UIWv21
InChI InChI=1S/C23H34N4O7S/c1-23(2,3)34-22(33)25-13-18(28)24-14-19(29)26-17(12-15-8-6-5-7-9-15)20(30)27-16(21(31)32)10-11-35-4/h5-9,16-17H,10-14H2,1-4H3,(H,24,28)(H,25,33)(H,26,29)(H,27,30)(H,31,32)
InChIKey NNLKEHUYJJNWCG-UHFFFAOYSA-N
Mol Weight 510.6 g/mol
Molecular Formula C23H34N4O7S
Exact Mass 510.214821 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FNod9NhrXSV
Name 12-benzyl-2,2-dimethyl-15-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oic 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/C23H34N4O7S/c1-23(2,3)34-22(33)25-13-18(28)24-14-19(29)26-17(12-15-8-6-5-7-9-15)20(30)27-16(21(31)32)10-11-35-4/h5-9,16-17H,10-14H2,1-4H3,(H,24,28)(H,25,33)(H,26,29)(H,27,30)(H,31,32)
InChIKey NNLKEHUYJJNWCG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_2422
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: ZI/6012549; Labnumber: MBO-138; IOH_ID: IOH-009425