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Ethyl (E)-4-(2-((benzyloxy)imino)-2-cyanoacetyl)-12-chlorododecanoate
SpectraBase Compound ID 2cfA20N9QOw
InChI InChI=1S/C24H33ClN2O4/c1-2-30-23(28)16-15-21(14-10-5-3-4-6-11-17-25)24(29)22(18-26)27-31-19-20-12-8-7-9-13-20/h7-9,12-13,21H,2-6,10-11,14-17,19H2,1H3/b27-22+
InChIKey CTPAQNWGCHTROI-HPNDGRJYSA-N
Mol Weight 449.0 g/mol
Molecular Formula C24H33ClN2O4
Exact Mass 448.212885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRYScmlyooz
Name Ethyl (E)-4-(2-((benzyloxy)imino)-2-cyanoacetyl)-12-chlorododecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33ClN2O4
InChI InChI=1S/C24H33ClN2O4/c1-2-30-23(28)16-15-21(14-10-5-3-4-6-11-17-25)24(29)22(18-26)27-31-19-20-12-8-7-9-13-20/h7-9,12-13,21H,2-6,10-11,14-17,19H2,1H3/b27-22+
InChIKey CTPAQNWGCHTROI-HPNDGRJYSA-N
Instrument Name JEOL MS700
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.176
Molecular Weight 448.991 g/mol
Reported Formula C24H33ClN2O4
SMILES C(OCC)(=O)CCC(CCCCCCCCCl)C(\C(=N\OCc1ccccc1)C#N)=O
SPLASH splash10-0006-9600000000-b8f8c42b1706167b6026
Source of Spectrum BJO-15-1827-5k
Wiley ID 1845870