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Hexanoic acid, 5-cyano-5-[(phenylmethylene)amino]-, ethyl ester
SpectraBase Compound ID 3Srl1pUGoJI
InChI InChI=1S/C16H20N2O2/c1-3-20-15(19)10-7-11-16(2,13-17)18-12-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3/b18-12+
InChIKey WDEXTEMJBDBOLS-LDADJPATSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DI4GDmMgA6s
Name Hexanoic acid, 5-cyano-5-[(phenylmethylene)amino]-, ethyl ester
CAS Registry Number 113543-92-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-3-20-15(19)10-7-11-16(2,13-17)18-12-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3/b18-12+
InChIKey WDEXTEMJBDBOLS-LDADJPATSA-N
Molecular Weight 272.348 g/mol
SMILES C(#N)C(\N=C\c1ccccc1)(CCCC(=O)OCC)C
SPLASH splash10-0a4i-0920000000-bde7bc48dc8d8a4e70d4
Source of Spectrum AJ-60-3356-10
Synonyms Ethyl 5-benzylideneamino-5-cyanohexanoate Ethyl 5-cyano-5-{[(E)-phenylmethylidene]amino}hexanoate
Wiley ID 1276355