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4-Benzylideneamino-4-cyano-3-methylpentanoic acid methyl ester
SpectraBase Compound ID 2o8XnPs4GJt
InChI InChI=1S/C15H18N2O2/c1-12(9-14(18)19-3)15(2,11-16)17-10-13-7-5-4-6-8-13/h4-8,10,12H,9H2,1-3H3/b17-10+
InChIKey ZLNNCOMEPKDLBJ-LICLKQGHSA-N
Mol Weight 258.32 g/mol
Molecular Formula C15H18N2O2
Exact Mass 258.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1H55ZINK3o
Name 4-Benzylideneamino-4-cyano-3-methylpentanoic acid methyl ester
Alternate Name(s) Methyl 4-cyano-3-methyl-4-{[(E)-phenylmethylidene]amino}pentanoate
CAS Registry Number 113543-75-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O2
InChI InChI=1S/C15H18N2O2/c1-12(9-14(18)19-3)15(2,11-16)17-10-13-7-5-4-6-8-13/h4-8,10,12H,9H2,1-3H3/b17-10+
InChIKey ZLNNCOMEPKDLBJ-LICLKQGHSA-N
Molecular Weight 258.321 g/mol
SMILES C(\N=C\c1ccccc1)(C#N)(C(CC(=O)OC)C)C
SPLASH splash10-0a4i-1900000000-da87f4fbc1128d203d4e
Source of Spectrum AJ-60-3354-2
Wiley ID 1261912