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2-(2-Hydroxypropyl)-3,4-dimethoxybenzonitrile
SpectraBase Compound ID LTt5MErH33U
InChI InChI=1S/C12H15NO3/c1-8(14)6-10-9(7-13)4-5-11(15-2)12(10)16-3/h4-5,8,14H,6H2,1-3H3
InChIKey BDOQZQJBRKCMTI-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gg19RVzs75
Name 2-(2-Hydroxypropyl)-3,4-dimethoxybenzonitrile
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-8(14)6-10-9(7-13)4-5-11(15-2)12(10)16-3/h4-5,8,14H,6H2,1-3H3
InChIKey BDOQZQJBRKCMTI-UHFFFAOYSA-N
Instrument Name Hewlett Packard series II GC-MS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.310
Molecular Weight 221.256 g/mol
SMILES OC(Cc1c(ccc(c1OC)OC)C#N)C
SPLASH splash10-03fr-0900000000-81a20be77e6244fac9e5
Source of Spectrum ARK-2013-124-5a
Thin-Layer Chromatography Rf = 0.28 (ethyl acetate/n-hexane, 1: 1)
Wiley ID 1853479