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2-Pentenoic acid, 5-hydroxy-2-methyl-5-(4-nitrophenyl)-, methyl ester, (E)-
SpectraBase Compound ID BRghQdGjTcU
InChI InChI=1S/C13H15NO5/c1-9(13(16)19-2)3-8-12(15)10-4-6-11(7-5-10)14(17)18/h3-7,12,15H,8H2,1-2H3/b9-3+
InChIKey NIVMLJAQMFXHAH-YCRREMRBSA-N
Mol Weight 265.26 g/mol
Molecular Formula C13H15NO5
Exact Mass 265.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkXIgD2V8iw
Name 2-Pentenoic acid, 5-hydroxy-2-methyl-5-(4-nitrophenyl)-, methyl ester, (E)-
CAS Registry Number 108733-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO5
InChI InChI=1S/C13H15NO5/c1-9(13(16)19-2)3-8-12(15)10-4-6-11(7-5-10)14(17)18/h3-7,12,15H,8H2,1-2H3/b9-3+
InChIKey NIVMLJAQMFXHAH-YCRREMRBSA-N
Molecular Weight 265.265 g/mol
SMILES OC(C\C=C\(C(=O)OC)C)c1ccc(N(=O)=O)cc1
SPLASH splash10-0udi-0910000000-52301725df8f5bace5a3
Source of Spectrum AJ-59-2478-21
Synonyms Methyl 5-hydroxy-4-methyl-5-(4-nitrophenyl)-2-pentenoate Methyl (2E)-5-hydroxy-2-methyl-5-(4-nitrophenyl)-2-pentenoate Methyl 5-hydroxy-2-mkethyl-5-(4-nitrophenyl)-2-pentenoate
Wiley ID 1268849