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Benzyl 2-(5,5-dimethyl-1,3-dioxan-2-yl)-3-(2-methoxycarbonylethyl)-4-methylpyrrole-5-carboxylate
SpectraBase Compound ID 6ylCJX6tPYr
InChI InChI=1S/C23H29NO6/c1-15-17(10-11-18(25)27-4)20(22-29-13-23(2,3)14-30-22)24-19(15)21(26)28-12-16-8-6-5-7-9-16/h5-9,22,24H,10-14H2,1-4H3
InChIKey YQLGAGANZHABHS-UHFFFAOYSA-N
Mol Weight 415.49 g/mol
Molecular Formula C23H29NO6
Exact Mass 415.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRvSJx23lZ4
Name Benzyl 2-(5,5-dimethyl-1,3-dioxan-2-yl)-3-(2-methoxycarbonylethyl)-4-methylpyrrole-5-carboxylate
Alternate Name(s) benzyl 5-(5,5-dimethyl-1,3-dioxan-2-yl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO6
InChI InChI=1S/C23H29NO6/c1-15-17(10-11-18(25)27-4)20(22-29-13-23(2,3)14-30-22)24-19(15)21(26)28-12-16-8-6-5-7-9-16/h5-9,22,24H,10-14H2,1-4H3
InChIKey YQLGAGANZHABHS-UHFFFAOYSA-N
Molecular Weight 415.486 g/mol
SMILES [nH]1c(c(c(c1C1OCC(CO1)(C)C)CCC(=O)OC)C)C(=O)OCc1ccccc1
SPLASH splash10-00vo-6039300000-782f4c7608331db2a598
Source of Spectrum SO-1976-465-2
Wiley ID 1536933