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6, 7-Diphenyl-2-tosyl-2, 3, 3a, 4-tetrahydro-1H-isoindol-5(7aH)-one
SpectraBase Compound ID 8XsaaxJJC3v
InChI InChI=1S/C27H25NO3S/c1-19-12-14-23(15-13-19)32(30,31)28-17-22-16-25(29)27(21-10-6-3-7-11-21)26(24(22)18-28)20-8-4-2-5-9-20/h2-15,22,24H,16-18H2,1H3/t22-,24-/m0/s1
InChIKey FXLVZBIMMMMDJI-UPVQGACJSA-N
Mol Weight 443.56 g/mol
Molecular Formula C27H25NO3S
Exact Mass 443.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fpDOjVqfxA
Name 6, 7-Diphenyl-2-tosyl-2, 3, 3a, 4-tetrahydro-1H-isoindol-5(7aH)-one
Alternate Name(s) (3aR,7aS)-6,7-diphenyl-2-tosyl-2,3,3a,4-tetrahydro-1H-isoindol-5(7aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25NO3S
InChI InChI=1S/C27H25NO3S/c1-19-12-14-23(15-13-19)32(30,31)28-17-22-16-25(29)27(21-10-6-3-7-11-21)26(24(22)18-28)20-8-4-2-5-9-20/h2-15,22,24H,16-18H2,1H3/t22-,24-/m0/s1
InChIKey FXLVZBIMMMMDJI-UPVQGACJSA-N
Literature Reference DOI 10.1021/ol101091r
Molecular Weight 443.561 g/mol
SMILES C1(=C(C(C[C@@]2([C@@]1(CN(C2)S(c1ccc(cc1)C)(=O)=O)[H])[H])=O)c1ccccc1)c1ccccc1
SPLASH splash10-0006-9040200000-661816810aab44ad7ff5
Source of Spectrum A1-12-3082/SMS9-2a
Wiley ID 1752347