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Methyl 3a-methyl-6-methylthiomethyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]isoxazole-3-carboxylate
SpectraBase Compound ID FG4jQ3vvPX2
InChI InChI=1S/C11H17NO3S/c1-11-5-4-8(7-16-3)12(11)15-6-9(11)10(13)14-2/h6,8H,4-5,7H2,1-3H3/t8-,11-/m1/s1
InChIKey WTBVZWCGMJBZRE-LDYMZIIASA-N
Mol Weight 243.32 g/mol
Molecular Formula C11H17NO3S
Exact Mass 243.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICVE2KnXkUP
Name Methyl 3a-methyl-6-methylthiomethyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]isoxazole-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C11H17NO3S
InChI InChI=1S/C11H17NO3S/c1-11-5-4-8(7-16-3)12(11)15-6-9(11)10(13)14-2/h6,8H,4-5,7H2,1-3H3/t8-,11-/m1/s1
InChIKey WTBVZWCGMJBZRE-LDYMZIIASA-N
Molecular Weight 243.321 g/mol
SMILES C=1([C@@]2(N([C@@](CSC)(CC2)[H])OC1)C)C(=O)OC
SPLASH splash10-0udl-0980000000-e9c28de26b44f0e3bb62
Source of Spectrum KC-0-158-9
Synonyms (3aR,6R)-Methyl 3a-methyl-6-methylthiomethyl-3a,4,5,6-tetrahydropyrrolo[1,2-b]isoxazole-3-carboxylate methyl 3a-methyl-6-[(methylsulfanyl)methyl]-3a,4,5,6-tetrahydropyrrolo[1,2-b]isoxazole-3-carboxylate (3aR,6R)-3a-methyl-6-[(methylthio)methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]isoxazole-3-carboxylic acid methyl ester methyl (3aR,6R)-3a-methyl-6-(methylsulfanylmethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]isoxazole-3-carboxylate methyl (3aR,6R)-3a-methyl-6-(methylsulfanylmethyl)-5,6-dihydro-4H-pyrrolo[1,2-b][1,2]oxazole-3-carboxylate
Wiley ID 787166