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4-(2-Cyano-ethoxy)-.beta.-hydroxy-.gamma.-oxobenzenebutanenitrile
SpectraBase Compound ID GJ2gYXfh2zE
InChI InChI=1S/C13H12N2O3/c14-7-1-9-18-11-4-2-10(3-5-11)13(17)12(16)6-8-15/h2-5,12,16H,1,6,9H2
InChIKey OSIBHHNXYNPIII-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7r0Txk9s2Lg
Name 4-(2-Cyano-ethoxy)-.beta.-hydroxy-.gamma.-oxobenzenebutanenitrile
Alternate Name(s) 4-[4-(2-cyanoethoxy)phenyl]-3-hydroxy-4-oxobutanenitrile
CAS Registry Number 75347-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c14-7-1-9-18-11-4-2-10(3-5-11)13(17)12(16)6-8-15/h2-5,12,16H,1,6,9H2
InChIKey OSIBHHNXYNPIII-UHFFFAOYSA-N
Molecular Weight 244.250 g/mol
SMILES OC(C(c1ccc(cc1)OCCC#N)=O)CC#N
SPLASH splash10-0uk9-9600000000-cbdcdcba3c5597fbaa61
Source of Spectrum J-45-5384-0
Wiley ID 1246876