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1-(6-(3-hydroxy-3-methylbut-1-yn-1-yl)benzo[d][1,3]dioxol-5-yl)prop-2-yn-1-yl acetate
SpectraBase Compound ID D4pQpYVNuxu
InChI InChI=1S/C17H16O5/c1-5-14(22-11(2)18)13-9-16-15(20-10-21-16)8-12(13)6-7-17(3,4)19/h1,8-9,14,19H,10H2,2-4H3
InChIKey WQQPWLIYPATDNQ-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqcPjBQiEwK
Name 1-(6-(3-hydroxy-3-methylbut-1-yn-1-yl)benzo[d][1,3]dioxol-5-yl)prop-2-yn-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-5-14(22-11(2)18)13-9-16-15(20-10-21-16)8-12(13)6-7-17(3,4)19/h1,8-9,14,19H,10H2,2-4H3
InChIKey WQQPWLIYPATDNQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201400849
Molecular Weight 300.310 g/mol
SMILES OC(C#Cc1cc2c(OCO2)cc1C(C#C)OC(=O)C)(C)C
SPLASH splash10-0ufu-0293000000-0c6dccfc86d025efb2c4
Source of Spectrum ASC-357-775/SM13-1c
Wiley ID 1770934