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dibenzyl 2-[({16-[2-({3-(benzyloxy)-1-[(benzyloxy)carbonyl]-3-oxopropyl}amino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}acetyl)amino]succinate
SpectraBase Compound ID JkaHLPFa5UM
InChI InChI=1S/C52H64N4O14/c57-47(53-45(51(61)69-39-43-17-9-3-10-18-43)33-49(59)67-37-41-13-5-1-6-14-41)35-55-21-25-63-29-31-65-27-23-56(24-28-66-32-30-64-26-22-55)36-48(58)54-46(52(62)70-40-44-19-11-4-12-20-44)34-50(60)68-38-42-15-7-2-8-16-42/h1-20,45-46H,21-40H2,(H,53,57)(H,54,58)
InChIKey PPPJLVQKJXETRC-UHFFFAOYSA-N
Mol Weight 969.1 g/mol
Molecular Formula C52H64N4O14
Exact Mass 968.441903 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cyu5bEpnuck
Name dibenzyl 2-[({16-[2-({3-(benzyloxy)-1-[(benzyloxy)carbonyl]-3-oxopropyl}amino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}acetyl)amino]succinate
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/C52H64N4O14/c57-47(53-45(51(61)69-39-43-17-9-3-10-18-43)33-49(59)67-37-41-13-5-1-6-14-41)35-55-21-25-63-29-31-65-27-23-56(24-28-66-32-30-64-26-22-55)36-48(58)54-46(52(62)70-40-44-19-11-4-12-20-44)34-50(60)68-38-42-15-7-2-8-16-42/h1-20,45-46H,21-40H2,(H,53,57)(H,54,58)
InChIKey PPPJLVQKJXETRC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9218
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: N07216; Labnumber: IBS1O03020; VK_ID: VK-009222
Temperature 318 °C