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Butanamide, N-[3-[4-(acetyloxy)-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-1-yl]-2-ch loro-2-propenyl]-4,4-dimethoxy-N-methyl-, [1R-[1.alpha.(E),3.beta.,4.beta.,6.alpha.]]-
SpectraBase Compound ID CBV7VTaImMK
InChI InChI=1S/C19H28ClNO7/c1-11-14(27-12(2)22)8-15-19(28-15,18(11)24)9-13(20)10-21(3)16(23)6-7-17(25-4)26-5/h9,11,14-15,17H,6-8,10H2,1-5H3/b13-9+/t11-,14-,15+,19+/m0/s1
InChIKey QQNMIEQGVKVWSY-UAXOSPKPSA-N
Mol Weight 417.89 g/mol
Molecular Formula C19H28ClNO7
Exact Mass 417.15543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcxyJdwk43r
Name Butanamide, N-[3-[4-(acetyloxy)-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-1-yl]-2-ch loro-2-propenyl]-4,4-dimethoxy-N-methyl-, [1R-[1.alpha.(E),3.beta.,4.beta.,6.alpha.]]-
Alternate Name(s) (1R,3S,4S,6R)-6-{(1E)-2-chloro-3-[(4,4-dimethoxybutanoyl)(methyl)amino]-1-propenyl}-4-methyl-5-oxo-7-oxabicyclo[4.1.0]hept-3-yl acetate 7-Oxabicyclo[4.1.0]heptane, butanamide deriv. N-Methyl-N-[2-chloro-3-(1,2-epoxy-4-acetoxy-5-methylcyclohex-6-on-yl)prop-2-enyl]-N-[4,4-dimethoxybutanoic acid]amide
CAS Registry Number 69121-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28ClNO7
InChI InChI=1S/C19H28ClNO7/c1-11-14(27-12(2)22)8-15-19(28-15,18(11)24)9-13(20)10-21(3)16(23)6-7-17(25-4)26-5/h9,11,14-15,17H,6-8,10H2,1-5H3/b13-9+/t11-,14-,15+,19+/m0/s1
InChIKey QQNMIEQGVKVWSY-UAXOSPKPSA-N
Molecular Weight 417.886 g/mol
SMILES [C@@]12(O[C@@]2(C[C@@]([C@@](C1=O)(C)[H])(OC(=O)C)[H])[H])\C=C/(CN(C(=O)CCC(OC)OC)C)Cl
SPLASH splash10-0089-9608000000-2fc1a0e3c28e9da66f78
Source of Spectrum C-100-7669-0
Wiley ID 1376784