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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 CnQR0a6RKtv
Name BENZOIC ACID, 4-[2-(ACETYLOXY)-1-PROPENYL]-2-HYDROXY-6-METHYL-3-NITRO-, METHYL ESTER
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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 309.0844
SMILES Oc1c(N(=O)=O)c(\C=C/(OC(C)=O)C)cc(C)c1C(OC)=O
SPLASH splash10-0006-6910000000-dc22daf394d9c76abcb5
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany