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1,2-Hydrazinedicarboxylic acid, 1-[[1-[3-chloro-2-[(methylamino)carbonyl]phenyl]-4-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-5-yl]methyl]-, diethyl ester
SpectraBase Compound ID 7UkqKlXOc9g
InChI InChI=1S/C23H28ClN7O6/c1-6-35-22(33)28-31(23(34)36-7-2)11-16-18(19-27-21(13(3)4)37-29-19)26-12-30(16)15-10-8-9-14(24)17(15)20(32)25-5/h8-10,12-13H,6-7,11H2,1-5H3,(H,25,32)(H,28,33)
InChIKey WOXGZXRLWQTFPE-UHFFFAOYSA-N
Mol Weight 533.97 g/mol
Molecular Formula C23H28ClN7O6
Exact Mass 533.178959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JSgNFrVWgd
Name 1,2-Hydrazinedicarboxylic acid, 1-[[1-[3-chloro-2-[(methylamino)carbonyl]phenyl]-4-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-5-yl]methyl]-, diethyl ester
CAS Registry Number 127603-77-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28ClN7O6
InChI InChI=1S/C23H28ClN7O6/c1-6-35-22(33)28-31(23(34)36-7-2)11-16-18(19-27-21(13(3)4)37-29-19)26-12-30(16)15-10-8-9-14(24)17(15)20(32)25-5/h8-10,12-13H,6-7,11H2,1-5H3,(H,25,32)(H,28,33)
InChIKey WOXGZXRLWQTFPE-UHFFFAOYSA-N
Molecular Weight 533.973 g/mol
SMILES N(C(c1c(-[n]2cnc(c2CN(C(=O)OCC)NC(=O)OCC)-c2nc(C(C)C)on2)cccc1Cl)=O)C
SPLASH splash10-0006-9000000000-e3cf8299cdab8f4d6f23
Source of Spectrum KC-1989-1893-8
Synonyms 3-[1-(3-chloro-2-N-methylcarbamoylphenyl)-2-(1,2-di(ethoxycarbonyl)hydrazino)methylimidazol-3-yl]-5-isopropyl-1,2,4-oxadiazole diethyl 1-{[1-{3-chloro-2-[(methylamino)carbonyl]phenyl}-4-(5-isopropyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-5-yl]methyl}-1,2-hydrazinedicarboxylate
Wiley ID 1403693