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4-Benzoyl-4-(ethoxycarbonyl)-8-(methoxycarbonyloxy)oct-1-en-6-yne
SpectraBase Compound ID 2haQ2tMZj9G
InChI InChI=1S/C20H22O6/c1-4-13-20(18(22)25-5-2,14-9-10-15-26-19(23)24-3)17(21)16-11-7-6-8-12-16/h4,6-8,11-12H,1,5,13-15H2,2-3H3
InChIKey BYZNBTRNXQGNBW-UHFFFAOYSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiEocG6XENO
Name 4-Benzoyl-4-(ethoxycarbonyl)-8-(methoxycarbonyloxy)oct-1-en-6-yne
Alternate Name(s) Ethyl 2-allyl-2-benzoyl-6-((methoxycarbonyl)oxy)hex-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-4-13-20(18(22)25-5-2,14-9-10-15-26-19(23)24-3)17(21)16-11-7-6-8-12-16/h4,6-8,11-12H,1,5,13-15H2,2-3H3
InChIKey BYZNBTRNXQGNBW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200606155
Molecular Weight 358.390 g/mol
SMILES C=CCC(CC#CCOC(=O)OC)(C(=O)OCC)C(c1ccccc1)=O
SPLASH splash10-0a4i-2910000000-726f01ebe33f15e0e780
Source of Spectrum ASC-348-2133/SM6-3h
Wiley ID 1765020