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(4aR,7aR)-1-Benzyl-7-methyl-4-oxo-6-tosyloctahydro-1H-pyrrolo[3,4-b]pyridine
SpectraBase Compound ID 8WH4iikQQGg
InChI InChI=1S/C22H26N2O3S/c1-16-8-10-19(11-9-16)28(26,27)24-15-20-21(25)12-13-23(22(20)17(24)2)14-18-6-4-3-5-7-18/h3-11,17,20,22H,12-15H2,1-2H3/t17?,20-,22-/m0/s1
InChIKey DYHMKYCRVYYMLG-FYQYPFLCSA-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 7CWBf7M48G3
Name (4aR,7aR)-1-Benzyl-7-methyl-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/c1-16-8-10-19(11-9-16)28(26,27)24-15-20-21(25)12-13-23(22(20)17(24)2)14-18-6-4-3-5-7-18/h3-11,17,20,22H,12-15H2,1-2H3/t17?,20-,22-/m0/s1
InChIKey DYHMKYCRVYYMLG-FYQYPFLCSA-N
Molecular Weight 398.521 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)C[C@]2(C(CCN([C@@]12[H])Cc1ccccc1)=O)[H])C
SPLASH splash10-0a4l-9110000000-8c34e7f9269ae52bf22d
Source of Spectrum U1-1999-2737-58
Synonyms (3aR,6aR)-1-Benzyl-7-methyl-4-oxo-6-tosyloctahydro-1H-pyrrolo[3,4-b]pyridine (4aR,7aR)-1-benzyl-7-methyl-6-[(4-methylphenyl)sulfonyl]octahydro-4H-pyrrolo[3,4-b]pyridin-4-one
Wiley ID 753201