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[2-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-5-chloranyl-phenyl]-phenyl-methanone

View entire compound with spectra: 1 MS (GC)

[2-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-5-chloranyl-phenyl]-phenyl-methanone
SpectraBase Compound ID H8dnahBpACc
InChI InChI=1S/C17H14ClN3O3/c18-12-6-7-14(21-15(9-22)19-20-16(21)10-23)13(8-12)17(24)11-4-2-1-3-5-11/h1-8,22-23H,9-10H2
InChIKey XFOGNFPUZNSRCS-UHFFFAOYSA-N
Mol Weight 343.77 g/mol
Molecular Formula C17H14ClN3O3
Exact Mass 343.072369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKwPeY3uKH7
Name [2-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-5-chloranyl-phenyl]-phenyl-methanone
Alternate Name(s) [2-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-5-chloro-phenyl]-phenyl-methanone [5-chloro-2-(3,5-dimethylol-1,2,4-triazol-4-yl)phenyl]-phenyl-methanone
CAS Registry Number 54485-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14ClN3O3
InChI InChI=1S/C17H14ClN3O3/c18-12-6-7-14(21-15(9-22)19-20-16(21)10-23)13(8-12)17(24)11-4-2-1-3-5-11/h1-8,22-23H,9-10H2
InChIKey XFOGNFPUZNSRCS-UHFFFAOYSA-N
Molecular Weight 343.770 g/mol
SMILES OCc1nnc(CO)[n]1-c1c(C(=O)c2ccccc2)cc(cc1)Cl
SPLASH splash10-0002-0079000000-4cc0724bec90a9386a62
Source of Spectrum Y-17-580-0
Wiley ID 1337205