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3-(1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(2-furyl)propionic acid
SpectraBase Compound ID BkrtKA67lDC
InChI InChI=1S/C16H19NO5/c1-9-4-5-10-11(7-9)16(21)17(15(10)20)12(8-14(18)19)13-3-2-6-22-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,18,19)
InChIKey WWVINSFHAZLOQY-UHFFFAOYSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBHmIJnqHKW
Name 3-(1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(2-furyl)propionic acid
Alternate Name(s) 3-(2-furanyl)-3-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid 3-(2-furyl)-3-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid 3-(furan-2-yl)-3-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid 3-(furan-2-yl)-3-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid 3-Furan-2-yl-3-(5-methyl-1,3-dioxo-octahydro-isoindol-2-yl)-propionic acid
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Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-9-4-5-10-11(7-9)16(21)17(15(10)20)12(8-14(18)19)13-3-2-6-22-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,18,19)
InChIKey WWVINSFHAZLOQY-UHFFFAOYSA-N
Molecular Weight 305.330 g/mol
SMILES OC(CC(N1C(C2CC(C)CCC2C1=O)=O)c1occc1)=O
SPLASH splash10-0a4u-9320000000-6fc2d03f92a860cfad75
Wiley ID 1465608