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Benzenepropanoic acid, .alpha.-[(4-bromophenyl)azo]-.alpha.-cyano-, ethyl ester
SpectraBase Compound ID Htlwb5ylQx0
InChI InChI=1S/C18H16BrN3O2/c1-2-24-18(23)16(12-20)17(13-6-4-3-5-7-13)22-21-15-10-8-14(19)9-11-15/h3-11,16-17H,2H2,1H3/b22-21+
InChIKey VHKWHYBAXHGQFM-QURGRASLSA-N
Mol Weight 386.25 g/mol
Molecular Formula C18H16BrN3O2
Exact Mass 385.04259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R5lvFU3P9w
Name Benzenepropanoic acid, .alpha.-[(4-bromophenyl)azo]-.alpha.-cyano-, ethyl ester
CAS Registry Number 64710-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16BrN3O2
InChI InChI=1S/C18H16BrN3O2/c1-2-24-18(23)16(12-20)17(13-6-4-3-5-7-13)22-21-15-10-8-14(19)9-11-15/h3-11,16-17H,2H2,1H3/b22-21+
InChIKey VHKWHYBAXHGQFM-QURGRASLSA-N
Molecular Weight 386.249 g/mol
SMILES C(C(\N=N\c1ccc(cc1)Br)c1ccccc1)(C(=O)OCC)C#N
SPLASH splash10-0fkc-5910000000-67dc539c60f1af537cec
Source of Spectrum O-12-104-4
Synonyms (4-bromophenylazo)-benzyl cyano acetic acid ethyl ester Ethyl 3-[(E)-(4-bromophenyl)diazenyl]-2-cyano-3-phenylpropanoate
Wiley ID 1362118