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METHYL-(E)-2-(N-BENZOYLAMINO)-2-BUTENOATE;MINOR_ISOMER
SpectraBase Compound ID 6FIhOcYbofi
InChI InChI=1S/C12H13NO3/c1-3-10(12(15)16-2)13-11(14)9-7-5-4-6-8-9/h3-8H,1-2H3,(H,13,14)/b10-3+
InChIKey FSFWJOZYIFJPAO-XCVCLJGOSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFebwJjP6fJ
Name Crotonic acid, 2-benzamido-, methyl ester
CAS Registry Number 105909-91-9
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-3-10(12(15)16-2)13-11(14)9-7-5-4-6-8-9/h3-8H,1-2H3,(H,13,14)/b10-3+
InChIKey FSFWJOZYIFJPAO-XCVCLJGOSA-N
Molecular Weight 219.240 g/mol
SMILES N(C(c1ccccc1)=O)\C(C(=O)OC)=C\C
SPLASH splash10-0a6r-7900000000-d0c60aeca0e9206beb00
Synonyms Methyl (2E)-2-(benzoylamino)-2-butenoate Methyl (E)-2-benzamidobut-2-enoate 2-Benzoylaminobut-2-enoic acid, methyl ester
Wiley ID 1483223