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3-(2-(But-3-yn-1-yl)-3-oxoisoindolin-1-yl)pentane-2,4-dione

View entire compound with spectra: 1 MS (GC)

3-(2-(But-3-yn-1-yl)-3-oxoisoindolin-1-yl)pentane-2,4-dione
SpectraBase Compound ID Bq4gu8hUit5
InChI InChI=1S/C17H17NO3/c1-4-5-10-18-16(15(11(2)19)12(3)20)13-8-6-7-9-14(13)17(18)21/h1,6-9,15-16H,5,10H2,2-3H3
InChIKey VNERUNXLMDUTOB-UHFFFAOYSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1g5sQWZXx8B
Name 3-(2-(But-3-yn-1-yl)-3-oxoisoindolin-1-yl)pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-4-5-10-18-16(15(11(2)19)12(3)20)13-8-6-7-9-14(13)17(18)21/h1,6-9,15-16H,5,10H2,2-3H3
InChIKey VNERUNXLMDUTOB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo4015886
Molecular Weight 283.327 g/mol
SMILES c1ccc2c(c1)C(N(CCC#C)C2C(C(=O)C)C(=O)C)=O
SPLASH splash10-00di-1910000000-e06630ee5353353ee10f
Source of Spectrum J-79-1909-VB
Wiley ID 1745780