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Diethyl 2-((3-(ethoxycarbonyl)cycloprop-1-enyl)methyl)-2-(prop-2-ynyl)malonate
SpectraBase Compound ID CelDTZ3b0bX
InChI InChI=1S/C17H22O6/c1-5-9-17(15(19)22-7-3,16(20)23-8-4)11-12-10-13(12)14(18)21-6-2/h1,10,13H,6-9,11H2,2-4H3
InChIKey XZQXAPRAIXJTJZ-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C17H22O6
Exact Mass 322.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyqaoQbqd2S
Name Diethyl 2-((3-(ethoxycarbonyl)cycloprop-1-enyl)methyl)-2-(prop-2-ynyl)malonate
Alternate Name(s) Diethyl 2-((3-(ethoxycarbonyl)cycloprop-1-en-1-yl)methyl)-2-(prop-2-yn-1-yl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O6
InChI InChI=1S/C17H22O6/c1-5-9-17(15(19)22-7-3,16(20)23-8-4)11-12-10-13(12)14(18)21-6-2/h1,10,13H,6-9,11H2,2-4H3
InChIKey XZQXAPRAIXJTJZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol101455c
Molecular Weight 322.357 g/mol
SMILES C(CC=1C(C1)C(OCC)=O)(C(OCC)=O)(C(OCC)=O)CC#C
SPLASH splash10-004j-2910000000-dfe4562aa93605fa0d39
Source of Spectrum A1-12-4462/SMS20-1f
Wiley ID 1752435