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(4aR,7aR)-1-Methyl-7-benzyl-4-oxo-6-tosyloctahydro-1H-pyrrolo[3,4-b]pyridine
SpectraBase Compound ID 1HbqKLZiIwE
InChI InChI=1S/C22H26N2O3S/c1-16-8-10-18(11-9-16)28(26,27)24-15-19-21(25)12-13-23(2)22(19)20(24)14-17-6-4-3-5-7-17/h3-11,19-20,22H,12-15H2,1-2H3/t19-,20?,22+/m0/s1
InChIKey YUADXAVVOGFGIH-PWKISDLSSA-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 C262Nxm044t
Name (4aR,7aR)-1-Methyl-7-benzyl-4-oxo-6-tosyloctahydro-1H-pyrrolo[3,4-b]pyridine
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(26,27)24-15-19-21(25)12-13-23(2)22(19)20(24)14-17-6-4-3-5-7-17/h3-11,19-20,22H,12-15H2,1-2H3/t19-,20?,22+/m0/s1
InChIKey YUADXAVVOGFGIH-PWKISDLSSA-N
Molecular Weight 398.521 g/mol
SMILES [C@]12([C@](C(CCN2C)=O)(CN(C1Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)[H])[H]
SPLASH splash10-000x-4690000000-c2da0d23d10cc4673376
Source of Spectrum U1-1999-2736-49
Synonyms (4aR,7aR)-7-benzyl-1-methyl-6-[(4-methylphenyl)sulfonyl]octahydro-4H-pyrrolo[3,4-b]pyridin-4-one
Wiley ID 753208