Debug Info

object
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_id
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KI6tUg2YXW3
compoundID
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KI6tUg2YXW3
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names
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name
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4-Methylene-6,7-diphenyl-2-tosyl-2,3,3a,4-tetrahydro-1H-isoindol-5(7aH)-one
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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
Enantiomer InChIKey GATLWRCCBFGOIW-LOSJGSFVSA-N
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  • (3aS,7aS)-4-methylene-6,7-diphenyl-2-tosyl-2,3,3a,4-tetrahydro-1H-isoindol-5(7aH)-one

This compound is available in the following databases:

KnowItAll Mass Spectral Library

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Wiley Registry of Mass Spectral Data 2023

Author: Wiley

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