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4-[4-(2-cyanoethoxy)phenyl]-3,4-bis(oxidanyl)butanenitrile
SpectraBase Compound ID FbPKtnjfCrg
InChI InChI=1S/C13H14N2O3/c14-7-1-9-18-11-4-2-10(3-5-11)13(17)12(16)6-8-15/h2-5,12-13,16-17H,1,6,9H2
InChIKey JYKAXUOTCMVBDT-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WbI4We76sZ
Name 4-[4-(2-cyanoethoxy)phenyl]-3,4-bis(oxidanyl)butanenitrile
CAS Registry Number 75347-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c14-7-1-9-18-11-4-2-10(3-5-11)13(17)12(16)6-8-15/h2-5,12-13,16-17H,1,6,9H2
InChIKey JYKAXUOTCMVBDT-UHFFFAOYSA-N
Molecular Weight 246.266 g/mol
SMILES OC(C(CC#N)O)c1ccc(cc1)OCCC#N
SPLASH splash10-00b9-6900000000-7107365bd0a84a8a62f5
Source of Spectrum J-45-5384-0
Synonyms 4-[4-(2-cyanoethoxy)phenyl]-3,4-dihydroxy-butanenitrile 4-[4-(2-cyanoethoxy)phenyl]-3,4-dihydroxy-butyronitrile
Wiley ID 1248816