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Methyl (3S)-6-Bromo-3-[(methylsulfonyl)oxy]-8-nitro-3,4-dihydroquinoline-1(2H)-carboxylate
SpectraBase Compound ID EENFfykS8Kr
InChI InChI=1S/C12H13BrN2O7S/c1-21-12(16)14-6-9(22-23(2,19)20)4-7-3-8(13)5-10(11(7)14)15(17)18/h3,5,9H,4,6H2,1-2H3/t9-/m0/s1
InChIKey UUKMVLCKKVQURJ-VIFPVBQESA-N
Mol Weight 409.21 g/mol
Molecular Formula C12H13BrN2O7S
Exact Mass 407.962685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3r6DQs9NfNw
Name Methyl (3S)-6-Bromo-3-[(methylsulfonyl)oxy]-8-nitro-3,4-dihydroquinoline-1(2H)-carboxylate
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Formula C12H13BrN2O7S
InChI InChI=1S/C12H13BrN2O7S/c1-21-12(16)14-6-9(22-23(2,19)20)4-7-3-8(13)5-10(11(7)14)15(17)18/h3,5,9H,4,6H2,1-2H3/t9-/m0/s1
InChIKey UUKMVLCKKVQURJ-VIFPVBQESA-N
Molecular Weight 409.207 g/mol
SMILES C1N(c2c(cc(cc2C[C@@]1(OS(=O)(=O)C)[H])Br)N(=O)=O)C(=O)OC
SPLASH splash10-08fr-0059100000-a9f4c44924d2c42ef13d
Source of Spectrum U1-2012-4245-29
Wiley ID 1715618