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methyl 4-(4-bromophenyl)spiro[1,3,4-thiadiazole-5,2'-3H-1,3-benzothiazole]-2-carboxylate 4-(4-bromophenyl)-2-spiro[1,3,4-thiadiazole-5,2'-3H-1,3-benzothiazole]carboxylic acid methyl ester 4-(4-bromophenyl)spiro[1,3,4-thiadiazole-5,2'-3H-1,3-benzothiazole]-2-carboxylic acid methyl ester
SpectraBase Compound ID HlDztcCjxxs
InChI InChI=1S/C16H12BrN3O2S2/c1-22-15(21)14-19-20(11-8-6-10(17)7-9-11)16(24-14)18-12-4-2-3-5-13(12)23-16/h2-9,18H,1H3
InChIKey LRIUFWQPBOZCQM-UHFFFAOYSA-N
Mol Weight 422.32 g/mol
Molecular Formula C16H12BrN3O2S2
Exact Mass 420.955432 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GoJprhiXbc8
Name methyl 4-(4-bromophenyl)spiro[1,3,4-thiadiazole-5,2'-3H-1,3-benzothiazole]-2-carboxylate 4-(4-bromophenyl)-2-spiro[1,3,4-thiadiazole-5,2'-3H-1,3-benzothiazole]carboxylic acid methyl ester 4-(4-bromophenyl)spiro[1,3,4-thiadiazole-5,2'-3H-1,3-benzothiazole]-2-carboxylic acid methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.955431984 u
Formula C16H12BrN3O2S2
InChI InChI=1S/C16H12BrN3O2S2/c1-22-15(21)14-19-20(11-8-6-10(17)7-9-11)16(24-14)18-12-4-2-3-5-13(12)23-16/h2-9,18H,1H3
InChIKey LRIUFWQPBOZCQM-UHFFFAOYSA-N
Molecular Weight 422.315 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12176
Solvent DMSO-d6
Source Vendor ID: NMR/10271605; Lab Info: LP; Lab Number: LP-0302246