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(2S,4aS,7S,7aR)-1,2,7-trimethyl-6-(4-methylphenyl)sulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-4-one

View entire compound with spectra: 1 MS (GC)

(2S,4aS,7S,7aR)-1,2,7-trimethyl-6-(4-methylphenyl)sulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-4-one
SpectraBase Compound ID COnT0HoV3wm
InChI InChI=1S/C17H24N2O3S/c1-11-5-7-14(8-6-11)23(21,22)19-10-15-16(20)9-12(2)18(4)17(15)13(19)3/h5-8,12-13,15,17H,9-10H2,1-4H3/t12-,13-,15+,17-/m0/s1
InChIKey NMLHHOGYOGHFQC-LBEHMCEESA-N
Mol Weight 336.45 g/mol
Molecular Formula C17H24N2O3S
Exact Mass 336.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7j6JNXz0yiD
Name (2S,4aS,7S,7aR)-1,2,7-trimethyl-6-(4-methylphenyl)sulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O3S
InChI InChI=1S/C17H24N2O3S/c1-11-5-7-14(8-6-11)23(21,22)19-10-15-16(20)9-12(2)18(4)17(15)13(19)3/h5-8,12-13,15,17H,9-10H2,1-4H3/t12-,13-,15+,17-/m0/s1
InChIKey NMLHHOGYOGHFQC-LBEHMCEESA-N
Molecular Weight 336.450 g/mol
SMILES [C@@]1(N(S(c2ccc(cc2)C)(=O)=O)C[C@@]2(C(C[C@@](N([C@@]12[H])C)(C)[H])=O)[H])(C)[H]
SPLASH splash10-0a4i-9400000000-13a64a90c5c69879ef2e
Source of Spectrum QC-11-908-26
Synonyms (2S,4aS,7S,7aR)-1,2,7-trimethyl-6-(p-tolylsulfonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-4-one (2S,4aS,7S,7aR)-1,2,7-trimethyl-6-tosyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-4-one
Wiley ID 859714