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(4as,7aS)-1,7-Dimethyl-4-oxo-6-tosyloctahydro-1H-pyrrolo[3,4-b]pyridine
SpectraBase Compound ID GKuJPAlTqnI
InChI InChI=1S/C16H22N2O3S/c1-11-4-6-13(7-5-11)22(20,21)18-10-14-15(19)8-9-17(3)16(14)12(18)2/h4-7,12,14,16H,8-10H2,1-3H3/t12?,14-,16-/m1/s1
InChIKey KAJGVAHRAQDDRQ-DTQDAUPPSA-N
Mol Weight 322.42 g/mol
Molecular Formula C16H22N2O3S
Exact Mass 322.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0vTwPuJGjC
Name (4as,7aS)-1,7-Dimethyl-4-oxo-6-tosyloctahydro-1H-pyrrolo[3,4-b]pyridine
Alternate Name(s) (4aS,7aS)-1,7-dimethyl-6-[(4-methylphenyl)sulfonyl]octahydro-4H-pyrrolo[3,4-b]pyridin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O3S
InChI InChI=1S/C16H22N2O3S/c1-11-4-6-13(7-5-11)22(20,21)18-10-14-15(19)8-9-17(3)16(14)12(18)2/h4-7,12,14,16H,8-10H2,1-3H3/t12?,14-,16-/m1/s1
InChIKey KAJGVAHRAQDDRQ-DTQDAUPPSA-N
Molecular Weight 322.423 g/mol
SMILES [C@@]12([C@@](C(CCN2C)=O)(CN(C1C)S(=O)(=O)c1ccc(C)cc1)[H])[H]
SPLASH splash10-0a4i-7900000000-330f6390ccfbfa4f9627
Source of Spectrum U1-1999-2735-47
Wiley ID 753210