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3-(2,3,4-Trimethoxyphenyl)propanenitrile
SpectraBase Compound ID 6AdUyfL9NQN
InChI InChI=1S/C12H15NO3/c1-14-10-7-6-9(5-4-8-13)11(15-2)12(10)16-3/h6-7H,4-5H2,1-3H3
InChIKey IKYZOGGMJXYANI-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 4h4xcOFAQSt
Name 3-(2,3,4-Trimethoxyphenyl)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-14-10-7-6-9(5-4-8-13)11(15-2)12(10)16-3/h6-7H,4-5H2,1-3H3
InChIKey IKYZOGGMJXYANI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2015972
Molecular Weight 221.256 g/mol
SMILES c1cc(c(OC)c(c1OC)OC)CCC#N
SPLASH splash10-00si-3910000000-3be8bc7218b20291e74d
Source of Spectrum A1-13-4084/SMS4-3d
Wiley ID 1753596