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Diethyl 2-(3-methoxybenzyl)-2-(4-(methoxycarbonyloxy)but-2-enyl)malonate
SpectraBase Compound ID 4k7Kp4nfprr
InChI InChI=1S/C21H28O8/c1-5-27-18(22)21(19(23)28-6-2,12-7-8-13-29-20(24)26-4)15-16-10-9-11-17(14-16)25-3/h7-11,14H,5-6,12-13,15H2,1-4H3/b8-7-
InChIKey VUKBBLYNWOJDGG-FPLPWBNLSA-N
Mol Weight 408.45 g/mol
Molecular Formula C21H28O8
Exact Mass 408.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fJlH2jtOsL
Name Diethyl 2-(3-methoxybenzyl)-2-(4-(methoxycarbonyloxy)but-2-enyl)malonate
Alternate Name(s) (Z)-diethyl 2-(3-methoxybenzyl)-2-(4-((methoxycarbonyl)oxy)but-2-en-1-yl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O8
InChI InChI=1S/C21H28O8/c1-5-27-18(22)21(19(23)28-6-2,12-7-8-13-29-20(24)26-4)15-16-10-9-11-17(14-16)25-3/h7-11,14H,5-6,12-13,15H2,1-4H3/b8-7-
InChIKey VUKBBLYNWOJDGG-FPLPWBNLSA-N
Literature Reference DOI 10.1002/adsc.200700607
Molecular Weight 408.447 g/mol
SMILES c1(OC)cc(CC(C(OCC)=O)(C(OCC)=O)C\C=C/COC(OC)=O)ccc1
SPLASH splash10-0079-0941000000-730dcd06f4c42a4303a1
Source of Spectrum ASC-350-531/SM3-3d
Wiley ID 1766060