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1-Methylbenzyl ester 2,4-dicyano-2-methylbutanoic acid ester
SpectraBase Compound ID 4hJTk6Eszje
InChI InChI=1S/C15H16N2O2/c1-12(13-7-4-3-5-8-13)19-14(18)15(2,11-17)9-6-10-16/h3-5,7-8,12H,6,9H2,1-2H3
InChIKey AWBDOMGQEUHXMV-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C15H16N2O2
Exact Mass 256.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OXzWsFxwmO
Name 1-Methylbenzyl ester 2,4-dicyano-2-methylbutanoic acid ester
CAS Registry Number 125847-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O2
InChI InChI=1S/C15H16N2O2/c1-12(13-7-4-3-5-8-13)19-14(18)15(2,11-17)9-6-10-16/h3-5,7-8,12H,6,9H2,1-2H3
InChIKey AWBDOMGQEUHXMV-UHFFFAOYSA-N
Molecular Weight 256.305 g/mol
SMILES C(C(C#N)(CCC#N)C)(OC(c1ccccc1)C)=O
SPLASH splash10-0a4i-1910000000-e76e87b02c2ee27542c6
Source of Spectrum J-55-2512-3
Synonyms 1-Phenylethyl 2,4-dicyano-2-methylbutanoate
Wiley ID 1259897