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1-(3'-Acetyl [3"-chloropropyl)amino]-2'-nitrophenyl)-4-(3'-pyridyl) but-1-ene
SpectraBase Compound ID F7VZsbqg5wL
InChI InChI=1S/C20H22ClN3O3/c1-16(25)23(14-6-12-21)19-11-4-10-18(20(19)24(26)27)9-3-2-7-17-8-5-13-22-15-17/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3/b9-3+
InChIKey AVWJVLFAUVNYIC-YCRREMRBSA-N
Mol Weight 387.87 g/mol
Molecular Formula C20H22ClN3O3
Exact Mass 387.134969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30Zg4Q21Sa
Name 1-(3'-Acetyl [3"-chloropropyl)amino]-2'-nitrophenyl)-4-(3'-pyridyl) but-1-ene
Alternate Name(s) N-(3-chloropropyl)-N-{2-nitro-3-[(1E)-4-(3-pyridinyl)-1-butenyl]phenyl}acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClN3O3
InChI InChI=1S/C20H22ClN3O3/c1-16(25)23(14-6-12-21)19-11-4-10-18(20(19)24(26)27)9-3-2-7-17-8-5-13-22-15-17/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3/b9-3+
InChIKey AVWJVLFAUVNYIC-YCRREMRBSA-N
Molecular Weight 387.867 g/mol
SMILES c1(N(=O)=O)c(N(C(=O)C)CCCCl)cccc1\C=C\CCc1cnccc1
SPLASH splash10-003u-0593000000-3894d0a58d2be47b669e
Source of Spectrum K-127-1677-15
Wiley ID 1363372