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DL-Valine, 2-(2-cyanoethyl)-N-[(4-methoxyphenyl)methylene]-, methyl ester
SpectraBase Compound ID 14qzIjoSQun
InChI InChI=1S/C17H22N2O3/c1-13(2)17(10-5-11-18,16(20)22-4)19-12-14-6-8-15(21-3)9-7-14/h6-9,12-13H,5,10H2,1-4H3/b19-12+
InChIKey SDZDOYSCOKELEZ-XDHOZWIPSA-N
Mol Weight 302.37 g/mol
Molecular Formula C17H22N2O3
Exact Mass 302.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zIhle0DTVe
Name DL-Valine, 2-(2-cyanoethyl)-N-[(4-methoxyphenyl)methylene]-, methyl ester
CAS Registry Number 119993-25-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3
InChI InChI=1S/C17H22N2O3/c1-13(2)17(10-5-11-18,16(20)22-4)19-12-14-6-8-15(21-3)9-7-14/h6-9,12-13H,5,10H2,1-4H3/b19-12+
InChIKey SDZDOYSCOKELEZ-XDHOZWIPSA-N
Molecular Weight 302.374 g/mol
SMILES C(\N=C\c1ccc(cc1)OC)(C(=O)OC)(C(C)C)CCC#N
SPLASH splash10-052f-0190000000-4e524aad691473525436
Source of Spectrum F-44-5370-0
Synonyms Methyl 2-(2-cyanoethyl)-2-{[(E)-(4-methoxyphenyl)methylidene]amino}-3-methylbutanoate Methyl N-p-methoxybenzylidene-2-(2'-cyanoethyl)valinate
Wiley ID 1304717