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(3'aS,6'aS)-6'-Benzyl-1'-methyl-5'-tosyl-spiro[cyclopropane-1,3'-hexahydro-4H-pyrrolo[3,4-c]isoxazole]
SpectraBase Compound ID Ax5B4tw5lE1
InChI InChI=1S/C22H26N2O3S/c1-16-8-10-18(11-9-16)28(25,26)24-15-19-21(23(2)27-22(19)12-13-22)20(24)14-17-6-4-3-5-7-17/h3-11,19-21H,12-15H2,1-2H3/t19-,20?,21-/m0/s1
InChIKey UOMIYLNELVASNJ-YSTUSHMSSA-N
Mol Weight 398.52 g/mol
Molecular Formula C22H26N2O3S
Exact Mass 398.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALywwEhlOCf
Name (3'aS,6'aS)-6'-Benzyl-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 C22H26N2O3S
InChI InChI=1S/C22H26N2O3S/c1-16-8-10-18(11-9-16)28(25,26)24-15-19-21(23(2)27-22(19)12-13-22)20(24)14-17-6-4-3-5-7-17/h3-11,19-21H,12-15H2,1-2H3/t19-,20?,21-/m0/s1
InChIKey UOMIYLNELVASNJ-YSTUSHMSSA-N
Molecular Weight 398.521 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)C[C@@]2(C3(ON([C@]12[H])C)CC3)[H])Cc1ccccc1
SPLASH splash10-0c0u-0910000000-c7db5825c8153798e979
Source of Spectrum U1-1999-2734-42
Synonyms (3'aS,6'aS)-4'-benzyl-3'-methyl-5'-[(4-methylbenzene)sulfonyl]-hexahydrospiro[cyclopropane-1,1'-pyrrolo[3,4-c][1,2]oxazole]
Wiley ID 753217