SpectraBase Compound ID | HlDztcCjxxs |
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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 |
SpectraBase Spectrum ID | GoJprhiXbc8 |
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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 |