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(2R)-2-[(3S)-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID KL74yfpnywO
InChI InChI=1S/C21H27N3O6S/c1-21(2,3)30-20(25)23-14-5-4-8-19(23)16-7-6-13-22(15-16)31(28,29)18-11-9-17(10-12-18)24(26)27/h4-7,9-12,16,19H,8,13-15H2,1-3H3/t16-,19+/m0/s1
InChIKey TWZIUSADCVSGLP-QFBILLFUSA-N
Mol Weight 449.52 g/mol
Molecular Formula C21H27N3O6S
Exact Mass 449.162057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jl1oBYiyhZH
Name (2R)-2-[(3S)-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
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Formula C21H27N3O6S
InChI InChI=1S/C21H27N3O6S/c1-21(2,3)30-20(25)23-14-5-4-8-19(23)16-7-6-13-22(15-16)31(28,29)18-11-9-17(10-12-18)24(26)27/h4-7,9-12,16,19H,8,13-15H2,1-3H3/t16-,19+/m0/s1
InChIKey TWZIUSADCVSGLP-QFBILLFUSA-N
Molecular Weight 449.522 g/mol
SMILES C1N(S(c2ccc(N(=O)=O)cc2)(=O)=O)CC=C[C@@]1([C@@]1(N(C(OC(C)(C)C)=O)CC=CC1)[H])[H]
SPLASH splash10-0560-9500000000-bed2e8c2b27257f7705d
Source of Spectrum F-68-2920-4
Synonyms (2R)-2-[(3S)-1-nosyl-3,6-dihydro-2H-pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester tert-Butyl (2R)-2-[(3S)-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
Wiley ID 1572185