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4-Methylene-6,7-diphenyl-2-tosyl-2,3,3a,4-tetrahydro-1H-isoindol-5(7aH)-one
SpectraBase Compound ID KI6tUg2YXW3
InChI InChI=1S/C28H25NO3S/c1-19-13-15-23(16-14-19)33(31,32)29-17-24-20(2)28(30)27(22-11-7-4-8-12-22)26(25(24)18-29)21-9-5-3-6-10-21/h3-16,24-25H,2,17-18H2,1H3/t24-,25+/m1/s1
InChIKey GATLWRCCBFGOIW-RPBOFIJWSA-N
Mol Weight 455.57 g/mol
Molecular Formula C28H25NO3S
Exact Mass 455.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VVifnddJE9
Name 4-Methylene-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 C28H25NO3S
InChI InChI=1S/C28H25NO3S/c1-19-13-15-23(16-14-19)33(31,32)29-17-24-20(2)28(30)27(22-11-7-4-8-12-22)26(25(24)18-29)21-9-5-3-6-10-21/h3-16,24-25H,2,17-18H2,1H3/t24-,25+/m1/s1
InChIKey GATLWRCCBFGOIW-RPBOFIJWSA-N
Literature Reference DOI 10.1021/ol101091r
Molecular Weight 455.572 g/mol
SMILES C1(=C(c2ccccc2)C(=O)C([C@]2(CN(C[C@]12[H])S(c1ccc(cc1)C)(=O)=O)[H])=C)c1ccccc1
SPLASH splash10-006x-9041000000-ca514f618753f46db4e2
Source of Spectrum A1-12-3082/SMS13-6
Synonyms (3aS,7aS)-4-methylene-6,7-diphenyl-2-tosyl-2,3,3a,4-tetrahydro-1H-isoindol-5(7aH)-one
Wiley ID 1752368