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Diethyl 2-(4-(methoxycarbonyloxy)but-2-enyl)-2-(4-methylbenzyl)malonate
SpectraBase Compound ID LBS5bOfC88d
InChI InChI=1S/C21H28O7/c1-5-26-18(22)21(19(23)27-6-2,13-7-8-14-28-20(24)25-4)15-17-11-9-16(3)10-12-17/h7-12H,5-6,13-15H2,1-4H3/b8-7-
InChIKey HZHIUIGQXFNPFF-FPLPWBNLSA-N
Mol Weight 392.45 g/mol
Molecular Formula C21H28O7
Exact Mass 392.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ndhtg9ekev
Name Diethyl 2-(4-(methoxycarbonyloxy)but-2-enyl)-2-(4-methylbenzyl)malonate
Alternate Name(s) (Z)-diethyl 2-(4-((methoxycarbonyl)oxy)but-2-en-1-yl)-2-(4-methylbenzyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O7
InChI InChI=1S/C21H28O7/c1-5-26-18(22)21(19(23)27-6-2,13-7-8-14-28-20(24)25-4)15-17-11-9-16(3)10-12-17/h7-12H,5-6,13-15H2,1-4H3/b8-7-
InChIKey HZHIUIGQXFNPFF-FPLPWBNLSA-N
Literature Reference DOI 10.1002/adsc.200700607
Molecular Weight 392.448 g/mol
SMILES c1cc(CC(C(OCC)=O)(C\C=C/COC(OC)=O)C(OCC)=O)ccc1C
SPLASH splash10-0aou-0930000000-9ff505573ae658fb0f6e
Source of Spectrum ASC-350-531/SM3-3e
Wiley ID 1766061