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2,3-Hexanedione, 6-phenoxy-4-(1H-1,2,4-triazol-1-yl)-, 3-(O-benzoyloxime) 2-(O-methyloxime)

View entire compound with spectra: 2 FTIR

2,3-Hexanedione, 6-phenoxy-4-(1H-1,2,4-triazol-1-yl)-, 3-(O-benzoyloxime) 2-(O-methyloxime)
SpectraBase Compound ID HXIo3RJqu
InChI InChI=1S/C22H23N5O4/c1-17(25-29-2)21(26-31-22(28)18-9-5-3-6-10-18)20(27-16-23-15-24-27)13-14-30-19-11-7-4-8-12-19/h3-12,15-16,20H,13-14H2,1-2H3/b25-17-,26-21+
InChIKey CFZLLVXPKFTTOU-IPODLGLUSA-N
Mol Weight 421.46 g/mol
Molecular Formula C22H23N5O4
Exact Mass 421.175004 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9oKpM1Kajgu
Name 2,3-Hexanedione, 6-phenoxy-4-(1H-1,2,4-triazol-1-yl)-, 3-(O-benzoyloxime) 2-(O-methyloxime)
CAS Registry Number 95236-82-1
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H23N5O4
InChI InChI=1S/C22H23N5O4/c1-17(25-29-2)21(26-31-22(28)18-9-5-3-6-10-18)20(27-16-23-15-24-27)13-14-30-19-11-7-4-8-12-19/h3-12,15-16,20H,13-14H2,1-2H3/b25-17-,26-21+
InChIKey CFZLLVXPKFTTOU-IPODLGLUSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique KBr-Pellet