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2-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-5-(4-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-3-carboxybenzyl)benzoic acid

View entire compound with spectra: 1 NMR

2-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-5-(4-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-3-carboxybenzyl)benzoic acid
SpectraBase Compound ID GOuz1Q2fxfp
InChI InChI=1S/C33H24N4O8S2/c38-28(16-46-32-36-24-5-1-3-7-26(24)44-32)34-22-11-9-18(14-20(22)30(40)41)13-19-10-12-23(21(15-19)31(42)43)35-29(39)17-47-33-37-25-6-2-4-8-27(25)45-33/h1-12,14-15H,13,16-17H2,(H,34,38)(H,35,39)(H,40,41)(H,42,43)
InChIKey JFJRSUKBGXEUAE-UHFFFAOYSA-N
Mol Weight 668.7 g/mol
Molecular Formula C33H24N4O8S2
Exact Mass 668.103556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GvFUjOhgAaS
Name 2-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-5-(4-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-3-carboxybenzyl)benzoic 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/C33H24N4O8S2/c38-28(16-46-32-36-24-5-1-3-7-26(24)44-32)34-22-11-9-18(14-20(22)30(40)41)13-19-10-12-23(21(15-19)31(42)43)35-29(39)17-47-33-37-25-6-2-4-8-27(25)45-33/h1-12,14-15H,13,16-17H2,(H,34,38)(H,35,39)(H,40,41)(H,42,43)
InChIKey JFJRSUKBGXEUAE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11064
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: UZI/1009815; UBI_ID: UBI-011067
Temperature 318 °C