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benzyl 2-[({16-[2-({1-[(benzyloxy)carbonyl]-3-methylbutyl}amino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}acetyl)amino]-4-methylpentanoate
SpectraBase Compound ID 51dOqkwutQW
InChI InChI=1S/C42H64N4O10/c1-33(2)27-37(41(49)55-31-35-11-7-5-8-12-35)43-39(47)29-45-15-19-51-23-25-53-21-17-46(18-22-54-26-24-52-20-16-45)30-40(48)44-38(28-34(3)4)42(50)56-32-36-13-9-6-10-14-36/h5-14,33-34,37-38H,15-32H2,1-4H3,(H,43,47)(H,44,48)
InChIKey GDIAHGPCEYUXAL-UHFFFAOYSA-N
Mol Weight 785.0 g/mol
Molecular Formula C42H64N4O10
Exact Mass 784.462244 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LfEt3yvcfB0
Name benzyl 2-[({16-[2-({1-[(benzyloxy)carbonyl]-3-methylbutyl}amino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}acetyl)amino]-4-methylpentanoate
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/C42H64N4O10/c1-33(2)27-37(41(49)55-31-35-11-7-5-8-12-35)43-39(47)29-45-15-19-51-23-25-53-21-17-46(18-22-54-26-24-52-20-16-45)30-40(48)44-38(28-34(3)4)42(50)56-32-36-13-9-6-10-14-36/h5-14,33-34,37-38H,15-32H2,1-4H3,(H,43,47)(H,44,48)
InChIKey GDIAHGPCEYUXAL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9217
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: N07213; Labnumber: IBS1O03015; VK_ID: VK-009221
Temperature 318 °C