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2-{2-[3-(1,3-Dioxan-2-yl)-1-hydroxypropyl]phenoxy}acetonitrile
SpectraBase Compound ID Diz6NZ5Jt8h
InChI InChI=1S/C15H19NO4/c16-8-11-18-14-5-2-1-4-12(14)13(17)6-7-15-19-9-3-10-20-15/h1-2,4-5,13,15,17H,3,6-7,9-11H2
InChIKey XUYGUFRFXJIZQX-UHFFFAOYSA-N
Mol Weight 277.32 g/mol
Molecular Formula C15H19NO4
Exact Mass 277.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wdfiq3q48g
Name 2-{2-[3-(1,3-Dioxan-2-yl)-1-hydroxypropyl]phenoxy}acetonitrile
Alternate Name(s) 2-(2-(3-(1,3-dioxan-2-yl)-1-hydroxypropyl)phenoxy)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO4
InChI InChI=1S/C15H19NO4/c16-8-11-18-14-5-2-1-4-12(14)13(17)6-7-15-19-9-3-10-20-15/h1-2,4-5,13,15,17H,3,6-7,9-11H2
InChIKey XUYGUFRFXJIZQX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol401610e
Molecular Weight 277.320 g/mol
SMILES OC(CCC1OCCCO1)c1ccccc1OCC#N
SPLASH splash10-0a4r-9500000000-b186dd47b518d443d3a2
Source of Spectrum A1-15-3876/SMS8-15d
Wiley ID 1748937