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(2S,3S)-2-(1,3-dioxo-2-isoindolyl)-3-methylpentanal
SpectraBase Compound ID KMMCCCPFJOp
InChI InChI=1S/C14H15NO3/c1-3-9(2)12(8-16)15-13(17)10-6-4-5-7-11(10)14(15)18/h4-9,12H,3H2,1-2H3/t9-,12+/m0/s1
InChIKey DCQIDXOWGQXAMR-JOYOIKCWSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGW2G4CDnw6
Name (2S,3S)-2-(1,3-dioxo-2-isoindolyl)-3-methylpentanal
Alternate Name(s) (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanal (2S,3S)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-pentanal (2S,3S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanal (2S,3S)-3-methyl-2-phthalimido-valeraldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-3-9(2)12(8-16)15-13(17)10-6-4-5-7-11(10)14(15)18/h4-9,12H,3H2,1-2H3/t9-,12+/m0/s1
InChIKey DCQIDXOWGQXAMR-JOYOIKCWSA-N
Molecular Weight 245.278 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@](C=O)([C@](CC)(C)[H])[H])=O
SPLASH splash10-03di-0940000000-2c75623aa0184660521d
Source of Spectrum F-50-7047-32
Wiley ID 1248054