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6-Benzothiazolecarboxylic acid, 2-[(3-bromobenzoyl)amino]-, methyl ester

View entire compound with spectra: 2 NMR

6-Benzothiazolecarboxylic acid, 2-[(3-bromobenzoyl)amino]-, methyl ester
SpectraBase Compound ID E3ptLNefgd3
InChI InChI=1S/C16H11BrN2O3S/c1-22-15(21)10-5-6-12-13(8-10)23-16(18-12)19-14(20)9-3-2-4-11(17)7-9/h2-8H,1H3,(H,18,19,20)
InChIKey VZMNZJZXVMXUKN-UHFFFAOYSA-N
Mol Weight 391.24 g/mol
Molecular Formula C16H11BrN2O3S
Exact Mass 389.967376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Lx99R2GYJh
Name 6-Benzothiazolecarboxylic acid, 2-[(3-bromobenzoyl)amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.967376393 u
Formula C16H11BrN2O3S
InChI InChI=1S/C16H11BrN2O3S/c1-22-15(21)10-5-6-12-13(8-10)23-16(18-12)19-14(20)9-3-2-4-11(17)7-9/h2-8H,1H3,(H,18,19,20)
InChIKey VZMNZJZXVMXUKN-UHFFFAOYSA-N
Molecular Weight 391.239 g/mol
SMILES N(C1=NC=2C=CC(C(=O)OC)=CC2S1)C(C=1C=C(Br)C=CC1)=O