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(2E,4E)-N-[(1S,6R)-2-keto-5,5-dimethoxy-7-oxabicyclo[4.1.0]hept-3-en-4-yl]hexa-2,4-dienamide
SpectraBase Compound ID GnWLs47xEHU
InChI InChI=1S/C14H17NO5/c1-4-5-6-7-11(17)15-10-8-9(16)12-13(20-12)14(10,18-2)19-3/h4-8,12-13H,1-3H3,(H,15,17)/b5-4+,7-6+/t12-,13-/m1/s1
InChIKey MXUHDISDPVTZBE-SUXXCLMSSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QwKqlB4kcx
Name (2E,4E)-N-[(1S,6R)-2-keto-5,5-dimethoxy-7-oxabicyclo[4.1.0]hept-3-en-4-yl]hexa-2,4-dienamide
Comments Less than 3 mono-isotopic peaks
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Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-4-5-6-7-11(17)15-10-8-9(16)12-13(20-12)14(10,18-2)19-3/h4-8,12-13H,1-3H3,(H,15,17)/b5-4+,7-6+/t12-,13-/m1/s1
InChIKey MXUHDISDPVTZBE-SUXXCLMSSA-N
Molecular Weight 279.292 g/mol
SMILES N(C=1C([C@]2([C@@](C(=O)C1)(O2)[H])[H])(OC)OC)C(\C=C\C=C\C)=O
SPLASH splash10-0002-9000000000-960fa9bdcb0ab4507bf9
Source of Spectrum J-64-5057-12
Synonyms (2E,4E)-N-[(1S,6R)-5,5-dimethoxy-2-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-4-yl]hexa-2,4-dienamide (2E,4E)-N-[(1S,6R)-5,5-dimethoxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]hexa-2,4-dienamide
Wiley ID 1530617