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(3S,3aS,6aR)-Tetrahydro-3-methyl-1-(phenylmethyl)-1H,6H-furo[3,4-c]isoxazol-6-one
SpectraBase Compound ID 2IlEaTcE0R2
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+/m0/s1
InChIKey KLSQQLIEYGLUAE-ZMLRMANQSA-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 LKz0YASFLJf
Name (3S,3aS,6aR)-Tetrahydro-3-methyl-1-(phenylmethyl)-1H,6H-furo[3,4-c]isoxazol-6-one
Alternate Name(s) (3S*,3aR*,6aR*)-Tetrahydro-3-methyl-1-(phenylmethyl)-1H,6H-furo[3,4-c]isoxazol-6-one (3S,3aS,6aR)-1-benzyl-3-methyltetrahydro-3H,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+/m0/s1
InChIKey KLSQQLIEYGLUAE-ZMLRMANQSA-N
Molecular Weight 233.267 g/mol
SMILES [C@@]12(N(O[C@]([C@@]2(COC1=O)[H])(C)[H])Cc1ccccc1)[H]
SPLASH splash10-0006-9020000000-c6f1bec7143f3d5f2cc2
Source of Spectrum F-51-116-17
Wiley ID 790492