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Methyl papyracillate
SpectraBase Compound ID 6XuQMN6TDZN
InChI InChI=1S/C12H16O5/c1-7(9(3)13)8(2)12(15)10(16-4)6-11(14)17-5/h6-7H,2H2,1,3-5H3/b10-6+
InChIKey GATQTJVEEDYMQG-UXBLZVDNSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kj2DrWX0c5
Name Methyl papyracillate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-7(9(3)13)8(2)12(15)10(16-4)6-11(14)17-5/h6-7H,2H2,1,3-5H3/b10-6+
InChIKey GATQTJVEEDYMQG-UXBLZVDNSA-N
Molecular Weight 240.255 g/mol
SMILES C(C(\C(=C/C(=O)OC)OC)=O)(C(C(=O)C)C)=C
SPLASH splash10-014v-3920000000-17ce9d3bc957a0ac3f1a
Source of Spectrum F-52-10253-6
Synonyms Methyl (2E)-3-methoxy-5-(1-methyl-2-oxopropyl)-4-oxo-2,5-hexadienoate (E)-3-methoxy-6-methyl-5-methylene-4,7-dioxo-2-octenoic acid methyl ester Methyl (E)-3-methoxy-6-methyl-5-methylidene-4,7-dioxooct-2-enoate Methyl (E)-3-methoxy-6-methyl-5-methylene-4,7-dioxo-oct-2-enoate Methyl (E)-3-methoxy-6-methyl-5-methylidene-4,7-bis(oxidanylidene)oct-2-enoate
Wiley ID 798015