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Benzenesulfonic acid, 4-bromo-, 1-(cyano-1H-1,2,4-triazol-1-ylmethylene)-2-ethylbutyl ester

View entire compound with spectra: 1 FTIR

Benzenesulfonic acid, 4-bromo-, 1-(cyano-1H-1,2,4-triazol-1-ylmethylene)-2-ethylbutyl ester
SpectraBase Compound ID Jpek896T0Zu
InChI InChI=1S/C16H17BrN4O3S/c1-3-12(4-2)16(15(9-18)21-11-19-10-20-21)24-25(22,23)14-7-5-13(17)6-8-14/h5-8,10-12H,3-4H2,1-2H3/b16-15-
InChIKey FSWXVMQFXBKGDW-NXVVXOECSA-N
Mol Weight 425.3 g/mol
Molecular Formula C16H17BrN4O3S
Exact Mass 424.020475 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9XMpHvS7HRd
Name Benzenesulfonic acid, 4-bromo-, 1-(cyano-1H-1,2,4-triazol-1-ylmethylene)-2-ethylbutyl ester
CAS Registry Number 120070-15-7
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H17BrN4O3S
InChI InChI=1S/C16H17BrN4O3S/c1-3-12(4-2)16(15(9-18)21-11-19-10-20-21)24-25(22,23)14-7-5-13(17)6-8-14/h5-8,10-12H,3-4H2,1-2H3/b16-15-
InChIKey FSWXVMQFXBKGDW-NXVVXOECSA-N
Instrument Name Bruker IFS 88 C
Technique KBr-Pellet