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2-{2-[Hydroxy(thiophen-2-yl)methyl]phenoxy}acetonitrile
SpectraBase Compound ID BeUQWK8CfZz
InChI InChI=1S/C13H11NO2S/c14-7-8-16-11-5-2-1-4-10(11)13(15)12-6-3-9-17-12/h1-6,9,13,15H,8H2
InChIKey YBWJPCDUJYVGIO-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C13H11NO2S
Exact Mass 245.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqwMGJ7kVWB
Name 2-{2-[Hydroxy(thiophen-2-yl)methyl]phenoxy}acetonitrile
Alternate Name(s) 2-(2-(hydroxy(thiophen-2-yl)methyl)phenoxy)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2S
InChI InChI=1S/C13H11NO2S/c14-7-8-16-11-5-2-1-4-10(11)13(15)12-6-3-9-17-12/h1-6,9,13,15H,8H2
InChIKey YBWJPCDUJYVGIO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol401610e
Molecular Weight 245.296 g/mol
SMILES OC(c1sccc1)c1c(OCC#N)cccc1
SPLASH splash10-0229-3900000000-5d4c3c607c60d5eb59a7
Source of Spectrum A1-15-3876/SMS7-15c
Wiley ID 1748936