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(trans)-2-{4-[(4-chloro-2-nitrophenoxy)methyl]-1H-1,2,3-triazol-1-yl}cyclohexanol

View entire compound with spectra: 1 MS (GC)

(trans)-2-{4-[(4-chloro-2-nitrophenoxy)methyl]-1H-1,2,3-triazol-1-yl}cyclohexanol
SpectraBase Compound ID 5fpiQ0fMu7r
InChI InChI=1S/C15H17ClN4O4/c16-10-5-6-15(13(7-10)20(22)23)24-9-11-8-19(18-17-11)12-3-1-2-4-14(12)21/h5-8,12,14,21H,1-4,9H2/t12-,14-/m1/s1
InChIKey CCQFSYXCDRWTTG-TZMCWYRMSA-N
Mol Weight 352.78 g/mol
Molecular Formula C15H17ClN4O4
Exact Mass 352.093833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1umkktkQee
Name (trans)-2-{4-[(4-chloro-2-nitrophenoxy)methyl]-1H-1,2,3-triazol-1-yl}cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17ClN4O4
InChI InChI=1S/C15H17ClN4O4/c16-10-5-6-15(13(7-10)20(22)23)24-9-11-8-19(18-17-11)12-3-1-2-4-14(12)21/h5-8,12,14,21H,1-4,9H2/t12-,14-/m1/s1
InChIKey CCQFSYXCDRWTTG-TZMCWYRMSA-N
Literature Reference DOI 10.1002/ajoc.201200012
Molecular Weight 352.778 g/mol
SMILES O[C@]1([C@@](CCCC1)([n]1nnc(c1)COc1c(cc(cc1)Cl)[N+](=O)[O-])[H])[H]
SPLASH splash10-0a59-9310000000-044f3285de1753a3eaaa
Source of Spectrum AJO-1-377/SM5-3m
Synonyms (1R,2R)-2-(4-((4-chloro-2-nitrophenoxy)methyl)-1H-1,2,3-triazol-1-yl)cyclohexanol
Wiley ID 1769923