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trans-Diethyl-2-(4-nitrocinnamyl)-2-allylmalonate
SpectraBase Compound ID FIXoPLK6uPQ
InChI InChI=1S/C19H23NO6/c1-4-13-19(17(21)25-5-2,18(22)26-6-3)14-7-8-15-9-11-16(12-10-15)20(23)24/h4,7-12H,1,5-6,13-14H2,2-3H3/b8-7+
InChIKey HFQCHVAUUFKELI-BQYQJAHWSA-N
Mol Weight 361.39 g/mol
Molecular Formula C19H23NO6
Exact Mass 361.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGZFimRbfh0
Name trans-Diethyl-2-(4-nitrocinnamyl)-2-allylmalonate
Alternate Name(s) (E)-diethyl 2-allyl-2-(3-(4-nitrophenyl)allyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO6
InChI InChI=1S/C19H23NO6/c1-4-13-19(17(21)25-5-2,18(22)26-6-3)14-7-8-15-9-11-16(12-10-15)20(23)24/h4,7-12H,1,5-6,13-14H2,2-3H3/b8-7+
InChIKey HFQCHVAUUFKELI-BQYQJAHWSA-N
Literature Reference DOI 10.1002/adsc.200800104
Molecular Weight 361.394 g/mol
SMILES C(C(=O)OCC)(C\C=C\c1ccc(cc1)[N+](=O)[O-])(C(OCC)=O)CC=C
SPLASH splash10-01b9-0940000000-cfd014e54b6b20332f45
Source of Spectrum ASC-350-1073/SM6-25
Wiley ID 1766282