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(2S,8R,9S)-2-Bromo-9-formyloxyruban-3-one

View entire compound with spectra: 1 MS (GC)

(2S,8R,9S)-2-Bromo-9-formyloxyruban-3-one
SpectraBase Compound ID 6j0AEu5sxmY
InChI InChI=1S/C19H19BrN2O4/c1-25-12-2-3-15-14(9-12)13(4-6-21-15)18(26-10-23)16-8-11-5-7-22(16)19(20)17(11)24/h2-4,6,9-11,16,18-19H,5,7-8H2,1H3/t11-,16-,18-,19+/m0/s1
InChIKey OUOPBVKLHPGHGA-ZHDFWETCSA-N
Mol Weight 419.28 g/mol
Molecular Formula C19H19BrN2O4
Exact Mass 418.05282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z1ybQMlNqX
Name (2S,8R,9S)-2-Bromo-9-formyloxyruban-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19BrN2O4
InChI InChI=1S/C19H19BrN2O4/c1-25-12-2-3-15-14(9-12)13(4-6-21-15)18(26-10-23)16-8-11-5-7-22(16)19(20)17(11)24/h2-4,6,9-11,16,18-19H,5,7-8H2,1H3/t11-,16-,18-,19+/m0/s1
InChIKey OUOPBVKLHPGHGA-ZHDFWETCSA-N
Molecular Weight 419.275 g/mol
SMILES [C@]1(N2CC[C@@](C1)(C([C@@]2(Br)[H])=O)[H])([C@](c1c2c(ccc(c2)OC)ncc1)(OC=O)[H])[H]
SPLASH splash10-001i-9100000000-c9606ce85ed9ca93204a
Source of Spectrum KC-0-805-2
Synonyms (S)-[(2R,6S)-6-bromo-5-oxo-1-azabicyclo[2.2.2]oct-2-yl](6-methoxy-4-quinolinyl)methyl formate Formic acid (S)-((2R,6S)-6-bromo-5-oxo-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-methoxy-quinolin-4-yl)-methyl ester
Wiley ID 824901