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2-Butenoic acid, 3-(5-methyl-3-phenyl-4-isoxazolyl)-, methyl ester, (E)-
SpectraBase Compound ID 6NaHeh817Ht
InChI InChI=1S/C15H15NO3/c1-10(9-13(17)18-3)14-11(2)19-16-15(14)12-7-5-4-6-8-12/h4-9H,1-3H3/b10-9+
InChIKey GTNRGWQTBVNQLH-MDZDMXLPSA-N
Mol Weight 257.29 g/mol
Molecular Formula C15H15NO3
Exact Mass 257.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKZgN8Pzitx
Name 2-Butenoic acid, 3-(5-methyl-3-phenyl-4-isoxazolyl)-, methyl ester, (E)-
CAS Registry Number 61728-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO3
InChI InChI=1S/C15H15NO3/c1-10(9-13(17)18-3)14-11(2)19-16-15(14)12-7-5-4-6-8-12/h4-9H,1-3H3/b10-9+
InChIKey GTNRGWQTBVNQLH-MDZDMXLPSA-N
Molecular Weight 257.289 g/mol
SMILES c1(c(noc1C)-c1ccccc1)\C(=C\C(=O)OC)C
SPLASH splash10-0002-3920000000-e47666da2627cc28af37
Source of Spectrum H-59-2092-31
Wiley ID 1260847