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Methyl 4-[(1E)-2-(acetyloxy)-1-propenyl]-2-hydroxy-6-methyl-3-nitrobenzoate
SpectraBase Compound ID JuFb9YAc7FO
InChI InChI=1S/C14H15NO7/c1-7-5-10(6-8(2)22-9(3)16)12(15(19)20)13(17)11(7)14(18)21-4/h5-6,17H,1-4H3/b8-6+
InChIKey JPSXWPDAYCUCSI-SOFGYWHQSA-N
Mol Weight 309.27 g/mol
Molecular Formula C14H15NO7
Exact Mass 309.084852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hRhIPzeQDQ
Name Methyl 4-[(1E)-2-(acetyloxy)-1-propenyl]-2-hydroxy-6-methyl-3-nitrobenzoate
CAS Registry Number 89586-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO7
InChI InChI=1S/C14H15NO7/c1-7-5-10(6-8(2)22-9(3)16)12(15(19)20)13(17)11(7)14(18)21-4/h5-6,17H,1-4H3/b8-6+
InChIKey JPSXWPDAYCUCSI-SOFGYWHQSA-N
Molecular Weight 309.274 g/mol
SMILES Oc1c(c(cc(c1N(=O)=O)\C=C/(C)OC(=O)C)C)C(=O)OC
SPLASH splash10-0006-6910000000-7423203e28293c2ef244
Synonyms 4-[(E)-2-acetoxyprop-1-enyl]-2-hydroxy-6-methyl-3-nitro-benzoic acid methyl ester 4-[(E)-2-acetyloxyprop-1-enyl]-2-hydroxy-6-methyl-3-nitrobenzoic acid methyl ester Benzoic acid, 4-[2-(acetyloxy)-1-propenyl]-2-hydroxy-6-methyl-3-nitro-, methyl ester Methyl 4-[(E)-2-acetoxyprop-1-enyl]-2-hydroxy-6-methyl-3-nitro-benzoate Methyl 4-[(E)-2-acetyloxyprop-1-enyl]-2-hydroxy-6-methyl-3-nitrobenzoate Methyl 4-[(E)-2-acetyloxyprop-1-enyl]-6-methyl-3-nitro-2-oxidanyl-benzoate
Wiley ID 1486075