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(E)-4-[1-adamantylmethyl-[1-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]-4-oxidanylidene-but-2-enoic acid

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(E)-4-[1-adamantylmethyl-[1-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]-4-oxidanylidene-but-2-enoic acid
SpectraBase Compound ID J0ZOewolIH6
InChI InChI=1S/C25H27ClN2O5/c26-18-2-1-3-19(9-18)28-22(30)10-20(24(28)33)27(21(29)4-5-23(31)32)14-25-11-15-6-16(12-25)8-17(7-15)13-25/h1-5,9,15-17,20H,6-8,10-14H2,(H,31,32)/b5-4+/t15-,16+,17-,20?,25-
InChIKey XYQVVBNCEUNHOJ-MPTVQIFDSA-N
Mol Weight 470.95 g/mol
Molecular Formula C25H27ClN2O5
Exact Mass 470.16085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DeXxpfXCjZB
Name 2-butenoic acid, 4-[[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl](tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)amino]-4-oxo-, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.160849672 u
Formula C25H27ClN2O5
InChI InChI=1S/C25H27ClN2O5/c26-18-2-1-3-19(9-18)28-22(30)10-20(24(28)33)27(21(29)4-5-23(31)32)14-25-11-15-6-16(12-25)8-17(7-15)13-25/h1-5,9,15-17,20H,6-8,10-14H2,(H,31,32)/b5-4+/t15-,16+,17-,20?,25-
InChIKey XYQVVBNCEUNHOJ-MPTVQIFDSA-N
Molecular Weight 470.953 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16065
Solvent DMSO-d6
Source Vendor ID: NMR/11250247; Lab Info: MIZ; Lab Number: MIZ-0104008