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(1-Imidazol-1-yl-3-phenoxy-propan-2-yl) 4-methylbenzenesulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1-Imidazol-1-yl-3-phenoxy-propan-2-yl) 4-methylbenzenesulfonate
SpectraBase Compound ID LbzpQKGY1wG
InChI InChI=1S/C19H20N2O4S/c1-16-7-9-19(10-8-16)26(22,23)25-18(13-21-12-11-20-15-21)14-24-17-5-3-2-4-6-17/h2-12,15,18H,13-14H2,1H3
InChIKey FLEYFGZYMFGPJB-UHFFFAOYSA-N
Mol Weight 372.44 g/mol
Molecular Formula C19H20N2O4S
Exact Mass 372.114378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GazlMaJFKEp
Name (1-Imidazol-1-yl-3-phenoxy-propan-2-yl) 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.114378302 u
Formula C19H20N2O4S
InChI InChI=1S/C19H20N2O4S/c1-16-7-9-19(10-8-16)26(22,23)25-18(13-21-12-11-20-15-21)14-24-17-5-3-2-4-6-17/h2-12,15,18H,13-14H2,1H3
InChIKey FLEYFGZYMFGPJB-UHFFFAOYSA-N
Molecular Weight 372.439 g/mol
SMILES C=1C=CC(OCC(OS(C=2C=CC(=CC2)C)(=O)=O)CN2C=NC=C2)=CC1