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4-Hydroxy-3-(4-hydroxy-3-nitrocinnamoyl)-6-methyl-2H-pyran-2-one

View entire compound with spectra: 2 MS (GC)

4-Hydroxy-3-(4-hydroxy-3-nitrocinnamoyl)-6-methyl-2H-pyran-2-one
SpectraBase Compound ID 7pBGPVJBi5g
InChI InChI=1S/C15H11NO7/c1-8-6-13(19)14(15(20)23-8)12(18)5-3-9-2-4-11(17)10(7-9)16(21)22/h2-7,17,19H,1H3/b5-3+
InChIKey QYYBACCETRXSEX-HWKANZROSA-N
Mol Weight 317.25 g/mol
Molecular Formula C15H11NO7
Exact Mass 317.053552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2JNGaCvZ2w
Name 4-Hydroxy-3-(4-hydroxy-3-nitrocinnamoyl)-6-methyl-2H-pyran-2-one
Alternate Name(s) 4-Hydroxy-3-[(2E)-3-(4-hydroxy-3-nitrophenyl)-2-propenoyl]-6-methyl-2H-pyran-2-one
CAS Registry Number 335590-57-3
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO7
InChI InChI=1S/C15H11NO7/c1-8-6-13(19)14(15(20)23-8)12(18)5-3-9-2-4-11(17)10(7-9)16(21)22/h2-7,17,19H,1H3/b5-3+
InChIKey QYYBACCETRXSEX-HWKANZROSA-N
Molecular Weight 317.253 g/mol
SMILES Oc1ccc(\C=C\C(C=2C(OC(=CC2O)C)=O)=O)cc1[N+]([O-])=O
SPLASH splash10-00ko-9501000000-71a3317dec67088213b5
Wiley ID 1468196