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(3'aS,6'aS)-1',6'-Dimethyl-5'-tosyl-spiro[cyclopropane-1,3'-hexahydro-4H-pyrrolo[3,4-c]isoxazole]
SpectraBase Compound ID G8Xw3d7E6sH
InChI InChI=1S/C16H22N2O3S/c1-11-4-6-13(7-5-11)22(19,20)18-10-14-15(12(18)2)17(3)21-16(14)8-9-16/h4-7,12,14-15H,8-10H2,1-3H3/t12?,14-,15+/m0/s1
InChIKey SUEDSIYNYYXBEP-JQXSQYPDSA-N
Mol Weight 322.42 g/mol
Molecular Formula C16H22N2O3S
Exact Mass 322.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JF5jJjDN261
Name (3'aS,6'aS)-1',6'-Dimethyl-5'-tosyl-spiro[cyclopropane-1,3'-hexahydro-4H-pyrrolo[3,4-c]isoxazole]
Alternate Name(s) (3'aS,6'aS)-3',4'-dimethyl-5'-[(4-methylbenzene)sulfonyl]-hexahydrospiro[cyclopropane-1,1'-pyrrolo[3,4-c][1,2]oxazole]
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Formula C16H22N2O3S
InChI InChI=1S/C16H22N2O3S/c1-11-4-6-13(7-5-11)22(19,20)18-10-14-15(12(18)2)17(3)21-16(14)8-9-16/h4-7,12,14-15H,8-10H2,1-3H3/t12?,14-,15+/m0/s1
InChIKey SUEDSIYNYYXBEP-JQXSQYPDSA-N
Molecular Weight 322.423 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)C[C@@]2(C3(ON([C@]12[H])C)CC3)[H])C
SPLASH splash10-0a4i-9600000000-401783d4502c1581a1fb
Source of Spectrum U1-1999-2734-39
Wiley ID 753222