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(3'aS,6'aS)-6'-Isopropyl-1'-methyl-5'-tosyl-spiro[cyclopropane-1,3'-hexahydro-4H-pyrrolo[3,4-c]isoxazole]
SpectraBase Compound ID CjjwPwVwebE
InChI InChI=1S/C18H26N2O3S/c1-12(2)16-17-15(18(9-10-18)23-19(17)4)11-20(16)24(21,22)14-7-5-13(3)6-8-14/h5-8,12,15-17H,9-11H2,1-4H3/t15-,16?,17-/m0/s1
InChIKey KXBSOKBRFRGNGL-QRFGZVGRSA-N
Mol Weight 350.48 g/mol
Molecular Formula C18H26N2O3S
Exact Mass 350.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFIOKp2J1tr
Name (3'aS,6'aS)-6'-Isopropyl-1'-methyl-5'-tosyl-spiro[cyclopropane-1,3'-hexahydro-4H-pyrrolo[3,4-c]isoxazole]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O3S
InChI InChI=1S/C18H26N2O3S/c1-12(2)16-17-15(18(9-10-18)23-19(17)4)11-20(16)24(21,22)14-7-5-13(3)6-8-14/h5-8,12,15-17H,9-11H2,1-4H3/t15-,16?,17-/m0/s1
InChIKey KXBSOKBRFRGNGL-QRFGZVGRSA-N
Molecular Weight 350.477 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)C[C@@]2(C3(ON([C@]12[H])C)CC3)[H])C(C)C
SPLASH splash10-0apm-9200000000-bcb08a050155b21c4d50
Source of Spectrum U1-1999-2734-40
Synonyms (3'aS,6'aS)-3'-methyl-5'-[(4-methylbenzene)sulfonyl]-4'-(propan-2-yl)-hexahydrospiro[cyclopropane-1,1'-pyrrolo[3,4-c][1,2]oxazole]
Wiley ID 753220