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tert-butyl 2-({[16-(2-{[1-(tert-butoxycarbonyl)-2-methylbutyl]amino}-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]acetyl}amino)-3-methylpentanoate
SpectraBase Compound ID EbyJwmXpEbk
InChI InChI=1S/C36H68N4O10/c1-11-27(3)31(33(43)49-35(5,6)7)37-29(41)25-39-13-17-45-21-23-47-19-15-40(16-20-48-24-22-46-18-14-39)26-30(42)38-32(28(4)12-2)34(44)50-36(8,9)10/h27-28,31-32H,11-26H2,1-10H3,(H,37,41)(H,38,42)
InChIKey GIFHUXADCDHOSA-UHFFFAOYSA-N
Mol Weight 717.0 g/mol
Molecular Formula C36H68N4O10
Exact Mass 716.493544 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4aOCVwJqLlf
Name tert-butyl 2-({[16-(2-{[1-(tert-butoxycarbonyl)-2-methylbutyl]amino}-2-oxoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]acetyl}amino)-3-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/C36H68N4O10/c1-11-27(3)31(33(43)49-35(5,6)7)37-29(41)25-39-13-17-45-21-23-47-19-15-40(16-20-48-24-22-46-18-14-39)26-30(42)38-32(28(4)12-2)34(44)50-36(8,9)10/h27-28,31-32H,11-26H2,1-10H3,(H,37,41)(H,38,42)
InChIKey GIFHUXADCDHOSA-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15329
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: N07215; Labnumber: IBS1O03017; SBI_ID: SBI-015332
Temperature 306 °C