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2-((4-((2-ethynyl-3,4,5-trimethoxybenzyl)oxy)but-2-yn-1-yl)oxy)acetonitrile
SpectraBase Compound ID ERdAYEbaNcX
InChI InChI=1S/C18H19NO5/c1-5-15-14(13-24-10-7-6-9-23-11-8-19)12-16(20-2)18(22-4)17(15)21-3/h1,12H,9-11,13H2,2-4H3
InChIKey PERADJVYIAKLNB-UHFFFAOYSA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VugCNmpwu
Name 2-((4-((2-ethynyl-3,4,5-trimethoxybenzyl)oxy)but-2-yn-1-yl)oxy)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-5-15-14(13-24-10-7-6-9-23-11-8-19)12-16(20-2)18(22-4)17(15)21-3/h1,12H,9-11,13H2,2-4H3
InChIKey PERADJVYIAKLNB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol802542c
Molecular Weight 329.352 g/mol
SMILES C(C#CCOCC#N)OCc1c(c(c(OC)c(OC)c1)OC)C#C
SPLASH splash10-05r3-7953000000-457d1290ee48a4f39659
Source of Spectrum A1-11-341/SMS119-27
Wiley ID 1756452