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3-[(E)-1-hydroxy-2-methyl-3-(4-nitrophenyl)allyl]-4-methoxy-6-methyl-pyran-2-one
SpectraBase Compound ID 1s9Q9Qv1IYD
InChI InChI=1S/C17H17NO6/c1-10(8-12-4-6-13(7-5-12)18(21)22)16(19)15-14(23-3)9-11(2)24-17(15)20/h4-9,16,19H,1-3H3/b10-8+
InChIKey QEBRCTZGCKHPLS-CSKARUKUSA-N
Mol Weight 331.32 g/mol
Molecular Formula C17H17NO6
Exact Mass 331.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2htRQOadSHc
Name 3-[(E)-1-hydroxy-2-methyl-3-(4-nitrophenyl)allyl]-4-methoxy-6-methyl-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO6
InChI InChI=1S/C17H17NO6/c1-10(8-12-4-6-13(7-5-12)18(21)22)16(19)15-14(23-3)9-11(2)24-17(15)20/h4-9,16,19H,1-3H3/b10-8+
InChIKey QEBRCTZGCKHPLS-CSKARUKUSA-N
Molecular Weight 331.324 g/mol
SMILES OC(C=1C(OC(=CC1OC)C)=O)\C(=C\c1ccc(N(=O)=O)cc1)C
SPLASH splash10-0006-9000000000-2f1bcba77b9b4556b627
Source of Spectrum Y-28-2043-9
Synonyms 3-[(E)-1-hydroxy-2-methyl-3-(4-nitrophenyl)prop-2-enyl]-4-methoxy-6-methyl-2-pyranone 3-[(E)-1-hydroxy-2-methyl-3-(4-nitrophenyl)prop-2-enyl]-4-methoxy-6-methylpyran-2-one 4-Methoxy-6-methyl-3-[(E)-2-methyl-3-(4-nitrophenyl)-1-oxidanyl-prop-2-enyl]pyran-2-one
Wiley ID 1328629