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3-(4-CYANO-trans-,trans-1,3-BUTADIENYL)-4,5-ISOXAZOLEDICARBOXYLICACID, DIMETHYL ESTER
SpectraBase Compound ID 4mFPgvRfgok
InChI InChI=1S/C12H10N2O5/c1-17-11(15)9-8(6-4-3-5-7-13)14-19-10(9)12(16)18-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKey UZCZXUVSVWTOSH-GGWOSOGESA-N
Mol Weight 262.22 g/mol
Molecular Formula C12H10N2O5
Exact Mass 262.058971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63osGJsKkDW
Name Dimethyl 3-[(1E,3E)-4-cyano-1,3-butadienyl]-4,5-isoxazoledicarboxylate
CAS Registry Number 56086-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O5
InChI InChI=1S/C12H10N2O5/c1-17-11(15)9-8(6-4-3-5-7-13)14-19-10(9)12(16)18-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKey UZCZXUVSVWTOSH-GGWOSOGESA-N
Molecular Weight 262.221 g/mol
SMILES c1(c(c(\C=C\C=C\C#N)no1)C(=O)OC)C(=O)OC
SPLASH splash10-0kor-9430000000-f92489cd5c025ad1084d
Source of Spectrum O-19-251-3
Synonyms 3-[(1E,3E)-4-cyanobuta-1,3-dienyl]isoxazole-4,5-dicarboxylic acid dimethyl ester Dimethyl 3-[(1E,3E)-4-cyanobuta-1,3-dienyl]-1,2-oxazole-4,5-dicarboxylate Dimethyl 3-[(1E,3E)-4-cyanobuta-1,3-dienyl]isoxazole-4,5-dicarboxylate Dimethyl trans,trans-3-(4-cyano-buta-1,3-dienyl)isoxazole-4,5-dicarboxylate
Wiley ID 1265428