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2-ethoxy-4-[(E)-(3-oxo-6,7,8,9-tetrahydro-3H-imidazo[1,2-a]azepin-2(5H)-ylidene)methyl]phenyl 4-methylbenzoate
SpectraBase Compound ID EUL8XpoDvcb
InChI InChI=1S/C25H26N2O4/c1-3-30-22-16-18(15-20-24(28)27-14-6-4-5-7-23(27)26-20)10-13-21(22)31-25(29)19-11-8-17(2)9-12-19/h8-13,15-16H,3-7,14H2,1-2H3/b20-15+
InChIKey FCXZRWYAFQEAIH-HMMYKYKNSA-N
Mol Weight 418.49 g/mol
Molecular Formula C25H26N2O4
Exact Mass 418.189257 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID SmZ4i6fHiU
Name 2-ethoxy-4-[(E)-(3-oxo-6,7,8,9-tetrahydro-3H-imidazo[1,2-a]azepin-2(5H)-ylidene)methyl]phenyl 4-methylbenzoate
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/C25H26N2O4/c1-3-30-22-16-18(15-20-24(28)27-14-6-4-5-7-23(27)26-20)10-13-21(22)31-25(29)19-11-8-17(2)9-12-19/h8-13,15-16H,3-7,14H2,1-2H3/b20-15+
InChIKey FCXZRWYAFQEAIH-HMMYKYKNSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5671
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: NMR/11221714; Labnumber: 0671; IOH_ID: IOH-005672
Synonyms 2-ethoxy-4-[(3-oxo-6,7,8,9-tetrahydro-3H-imidazo[1,2-a]azepin-2(5H)-ylidene)methyl]phenyl 4-methylbenzoate