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(3aR*,5R*)-5,7-Dimethyl-2-tosyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one
SpectraBase Compound ID ITDPLSZ4RQp
InChI InChI=1S/C17H21NO3S/c1-11-4-6-15(7-5-11)22(20,21)18-10-14-9-12(2)8-13(3)16(14)17(18)19/h4-7,12,14H,8-10H2,1-3H3/t12-,14-/m0/s1
InChIKey FMZVSATZHPQGTC-JSGCOSHPSA-N
Mol Weight 319.42 g/mol
Molecular Formula C17H21NO3S
Exact Mass 319.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeLtrzO4t1R
Name (3aR*,5R*)-5,7-Dimethyl-2-tosyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3S
InChI InChI=1S/C17H21NO3S/c1-11-4-6-15(7-5-11)22(20,21)18-10-14-9-12(2)8-13(3)16(14)17(18)19/h4-7,12,14H,8-10H2,1-3H3/t12-,14-/m0/s1
InChIKey FMZVSATZHPQGTC-JSGCOSHPSA-N
Molecular Weight 319.419 g/mol
SMILES c1(S(N2C(C3=C(C[C@@](C[C@]3(C2)[H])(C)[H])C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-052e-3920000000-9331439d3de3f670ea13
Source of Spectrum F-68-1191-16
Wiley ID 1707634