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(E)-methyl 5-(6-methoxy-pyridin-3-yl)-5-hydroxypent-2-enoate
SpectraBase Compound ID 1r57YUIDLB4
InChI InChI=1S/C12H15NO4/c1-16-11-7-6-9(8-13-11)10(14)4-3-5-12(15)17-2/h3,5-8,10,14H,4H2,1-2H3/b5-3+
InChIKey NXLYHKQPCOYWRG-HWKANZROSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gd5LQvLKWHS
Name (E)-methyl 5-(6-methoxy-pyridin-3-yl)-5-hydroxypent-2-enoate
Alternate Name(s) (E)-methyl 5-hydroxy-5-(6-methoxypyridin-3-yl)pent-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-16-11-7-6-9(8-13-11)10(14)4-3-5-12(15)17-2/h3,5-8,10,14H,4H2,1-2H3/b5-3+
InChIKey NXLYHKQPCOYWRG-HWKANZROSA-N
Literature Reference DOI 10.1021/ol502016h
Molecular Weight 237.255 g/mol
SMILES OC(c1cnc(cc1)OC)C\C=C\C(OC)=O
SPLASH splash10-000i-3900000000-1428865679f0c1597967
Source of Spectrum A1-16-4972/SMS16-5f
Wiley ID 1751205