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(2S,4R)-Ethyl 2-(5-bromo-2-ethoxy-1-[4-methylphenylsulfonyl]-1,2,3,4-tetrahydro-4-pyridinyl)acetate
SpectraBase Compound ID 7KRJYZieYim
InChI InChI=1S/C18H24BrNO5S/c1-4-24-17-10-14(11-18(21)25-5-2)16(19)12-20(17)26(22,23)15-8-6-13(3)7-9-15/h6-9,12,14,17H,4-5,10-11H2,1-3H3/t14-,17+/m1/s1
InChIKey VJFKQUBHAAULPY-PBHICJAKSA-N
Mol Weight 446.36 g/mol
Molecular Formula C18H24BrNO5S
Exact Mass 445.055857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmmsRySct4
Name (2S,4R)-Ethyl 2-(5-bromo-2-ethoxy-1-[4-methylphenylsulfonyl]-1,2,3,4-tetrahydro-4-pyridinyl)acetate
Appearance Colorless prisms
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Exact Mass 445.055857046 u
Formula C18H24BrNO5S
InChI InChI=1S/C18H24BrNO5S/c1-4-24-17-10-14(11-18(21)25-5-2)16(19)12-20(17)26(22,23)15-8-6-13(3)7-9-15/h6-9,12,14,17H,4-5,10-11H2,1-3H3/t14-,17+/m1/s1
InChIKey VJFKQUBHAAULPY-PBHICJAKSA-N
Instrument Name JEOL JMS-DX303
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.823
Molecular Weight 446.356 g/mol
Reported Formula C18H24NO5S(79)Br
SMILES C(C)OC(C[C@]1(C[C@@](N(C=C1Br)S(C1=CC=C(C=C1)C)(=O)=O)(OCC)[H])[H])=O
SPLASH splash10-0006-0090000000-45acde5483b42d794e42
Source of Spectrum ARK-2003-243-22 (DOI: 10.3998/ark.5550190.0004.823)
Wiley ID 1900059