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3-Acetyl-4-(4-methoxyphenyl)-6-(4-nitrophenyl)-5-hexen-2-one
SpectraBase Compound ID 5MzqXDEk0JM
InChI InChI=1S/C21H21NO5/c1-14(23)21(15(2)24)20(17-7-11-19(27-3)12-8-17)13-6-16-4-9-18(10-5-16)22(25)26/h4-13,20-21H,1-3H3/b13-6+
InChIKey UFSBKEHRDSQUCI-AWNIVKPZSA-N
Mol Weight 367.4 g/mol
Molecular Formula C21H21NO5
Exact Mass 367.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KVU3ROJEjb
Name 3-Acetyl-4-(4-methoxyphenyl)-6-(4-nitrophenyl)-5-hexen-2-one
Alternate Name(s) 3-[(2E)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-propenyl]-2,4-pentanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c1-14(23)21(15(2)24)20(17-7-11-19(27-3)12-8-17)13-6-16-4-9-18(10-5-16)22(25)26/h4-13,20-21H,1-3H3/b13-6+
InChIKey UFSBKEHRDSQUCI-AWNIVKPZSA-N
Molecular Weight 367.401 g/mol
SMILES c1(N(=O)=O)ccc(\C=C\C(C(C(=O)C)C(=O)C)c2ccc(cc2)OC)cc1
SPLASH splash10-00xv-3359000000-aa988a3f338a31daee28
Source of Spectrum F-48-1704-30
Wiley ID 1352588