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Bis(4-nitrobenzyl) (E,E)-3-Isopropyl-2,4-hexadienedioate
SpectraBase Compound ID Hfl1DHiWk9o
InChI InChI=1S/C23H22N2O8/c1-16(2)19(13-23(27)33-15-18-5-10-21(11-6-18)25(30)31)7-12-22(26)32-14-17-3-8-20(9-4-17)24(28)29/h3-13,16H,14-15H2,1-2H3/b12-7+,19-13-
InChIKey JWXSMPNZJSIEEO-DTLUPDQHSA-N
Mol Weight 454.44 g/mol
Molecular Formula C23H22N2O8
Exact Mass 454.137616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8Gsdt3EYa
Name Bis(4-nitrobenzyl) (E,E)-3-Isopropyl-2,4-hexadienedioate
Alternate Name(s) bis(4-nitrobenzyl) (2E,4E)-3-isopropyl-2,4-hexadienedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O8
InChI InChI=1S/C23H22N2O8/c1-16(2)19(13-23(27)33-15-18-5-10-21(11-6-18)25(30)31)7-12-22(26)32-14-17-3-8-20(9-4-17)24(28)29/h3-13,16H,14-15H2,1-2H3/b12-7+,19-13-
InChIKey JWXSMPNZJSIEEO-DTLUPDQHSA-N
Molecular Weight 454.435 g/mol
SMILES c1(N(=O)=O)ccc(cc1)COC(\C=C\(\C=C\C(=O)OCc1ccc(N(=O)=O)cc1)C(C)C)=O
SPLASH splash10-00dr-3980000000-005dfe316ecb6ebe91fb
Source of Spectrum AJ-64-3310-21
Wiley ID 1388720