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2-Propenoic acid, 3-(4-nitrophenyl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
SpectraBase Compound ID LHq8qhcayvC
InChI InChI=1S/C21H17NO6/c23-20(14-11-17-9-12-19(13-10-17)22(25)26)27-15-5-2-6-16-28-21(24)18-7-3-1-4-8-18/h1-14,16H,15H2/b5-2+,14-11+,16-6+
InChIKey HFAOGKHCQPDYDY-RMDPBZERSA-N
Mol Weight 379.37 g/mol
Molecular Formula C21H17NO6
Exact Mass 379.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6az59qgygP
Name 2-Propenoic acid, 3-(4-nitrophenyl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
Alternate Name(s) (1E,3E)-5-{[(2E)-3-(4-nitrophenyl)-2-propenoyl]oxy}-1,3-pentadienyl benzoate 1-(benzoyloxy)-5-[(p-nitro-(E)-cinnamoyl)oxy]-1(E),3(E)-pentadiene
CAS Registry Number 114133-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO6
InChI InChI=1S/C21H17NO6/c23-20(14-11-17-9-12-19(13-10-17)22(25)26)27-15-5-2-6-16-28-21(24)18-7-3-1-4-8-18/h1-14,16H,15H2/b5-2+,14-11+,16-6+
InChIKey HFAOGKHCQPDYDY-RMDPBZERSA-N
Molecular Weight 379.368 g/mol
SMILES c1(N(=O)=O)ccc(\C=C\C(=O)OC\C=C\C=C\OC(=O)c2ccccc2)cc1
SPLASH splash10-0a4i-0900000000-73e15a17fa52e6fd6fcc
Source of Spectrum J-53-1869-17
Wiley ID 1359274