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(1S,2S)-2-(4-((4-nitrophenoxy)methyl)-1H-1,2,3-triazol-1-yl)cyclohexanol
SpectraBase Compound ID Lj1mi6kJhHT
InChI InChI=1S/C15H18N4O4/c20-15-4-2-1-3-14(15)18-9-11(16-17-18)10-23-13-7-5-12(6-8-13)19(21)22/h5-9,14-15,20H,1-4,10H2/t14-,15-/m0/s1
InChIKey CGSARNQXZLEULR-GJZGRUSLSA-N
Mol Weight 318.33 g/mol
Molecular Formula C15H18N4O4
Exact Mass 318.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQYdDDs3RH9
Name (1S,2S)-2-(4-((4-nitrophenoxy)methyl)-1H-1,2,3-triazol-1-yl)cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N4O4
InChI InChI=1S/C15H18N4O4/c20-15-4-2-1-3-14(15)18-9-11(16-17-18)10-23-13-7-5-12(6-8-13)19(21)22/h5-9,14-15,20H,1-4,10H2/t14-,15-/m0/s1
InChIKey CGSARNQXZLEULR-GJZGRUSLSA-N
Literature Reference DOI 10.1002/adsc.200900353
Molecular Weight 318.333 g/mol
SMILES O[C@@]1([C@@]([n]2cc(COc3ccc(cc3)[N+](=O)[O-])nn2)(CCCC1)[H])[H]
SPLASH splash10-0kai-9700000000-8703dd1d23826f9e0998
Source of Spectrum ASC-351-2407-3o
Wiley ID 1763409