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3-(4-Chlorophenyl)-3-(6-phthalimidohexanoylamino)propionic acid

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3-(4-Chlorophenyl)-3-(6-phthalimidohexanoylamino)propionic acid
SpectraBase Compound ID HvV1TAvfq23
InChI InChI=1S/C23H23ClN2O5/c24-16-11-9-15(10-12-16)19(14-21(28)29)25-20(27)8-2-1-5-13-26-22(30)17-6-3-4-7-18(17)23(26)31/h3-4,6-7,9-12,19H,1-2,5,8,13-14H2,(H,25,27)(H,28,29)
InChIKey XLCBOTQHSAUUQI-UHFFFAOYSA-N
Mol Weight 442.9 g/mol
Molecular Formula C23H23ClN2O5
Exact Mass 442.12955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1tLCbyPYgcr
Name benzenepropanoic acid, 4-chloro-beta-[[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxohexyl]amino]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.129549544 u
Formula C23H23ClN2O5
InChI InChI=1S/C23H23ClN2O5/c24-16-11-9-15(10-12-16)19(14-21(28)29)25-20(27)8-2-1-5-13-26-22(30)17-6-3-4-7-18(17)23(26)31/h3-4,6-7,9-12,19H,1-2,5,8,13-14H2,(H,25,27)(H,28,29)
InChIKey XLCBOTQHSAUUQI-UHFFFAOYSA-N
Molecular Weight 442.899 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17572
Solvent DMSO-d6
Source Vendor ID: NMR/11240856; Lab Info: L-02; Lab Number: L-0200068