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(3S,3aR,6aS)-1-Benzyl-3-methyl-tetrahydro-furo[3,4-c]isoxazol-6-one
SpectraBase Compound ID 48IxTQ39LOv
InChI InChI=1S/C13H15NO3/c1-9-11-8-16-13(15)12(11)14(17-9)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+,12-/m1/s1
InChIKey KLSQQLIEYGLUAE-ADEWGFFLSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuV7UMTfCPU
Name (3S,3aR,6aS)-1-Benzyl-3-methyl-tetrahydro-furo[3,4-c]isoxazol-6-one
Alternate Name(s) (3R,3aS,6aR)-1-Benzyl-3-methyl-tetrahydro-furo[3,4-c]isoxazol-6-one (3S,3aR,6aS)-1-benzyl-3-methyltetrahydro-3H,6H-furo[3,4-c]isoxazol-6-one (3SR,3aR*,6aR*)-Tetrahydro-3-methyl-1-(phenylmethyl)-1H,6H-furo[3,4-c]isoxazol-6-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-9-11-8-16-13(15)12(11)14(17-9)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+,12-/m1/s1
InChIKey KLSQQLIEYGLUAE-ADEWGFFLSA-N
Molecular Weight 233.267 g/mol
SMILES [C@@]12(N(O[C@@]([C@@]2(COC1=O)[H])(C)[H])Cc1ccccc1)[H]
SPLASH splash10-0006-9030000000-db0e2966609d7344fd68
Source of Spectrum F-51-116-17
Wiley ID 790460