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2-(4-Phenoxyphenoxy)ethyl 4-methylbenzenesulfonate
SpectraBase Compound ID 5Sjyjdtutrg
InChI InChI=1S/C21H20O5S/c1-17-7-13-21(14-8-17)27(22,23)25-16-15-24-18-9-11-20(12-10-18)26-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3
InChIKey LZXUIEGJZUQPRX-UHFFFAOYSA-N
Mol Weight 384.45 g/mol
Molecular Formula C21H20O5S
Exact Mass 384.103145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pkAvdlsNEU
Name 2-(4-Phenoxyphenoxy)ethyl 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 384.103144913 u
Formula C21H20O5S
InChI InChI=1S/C21H20O5S/c1-17-7-13-21(14-8-17)27(22,23)25-16-15-24-18-9-11-20(12-10-18)26-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3
InChIKey LZXUIEGJZUQPRX-UHFFFAOYSA-N
Molecular Weight 384.446 g/mol
SMILES C=1(S(=O)(=O)OCCOC2=CC=C(OC=3C=CC=CC3)C=C2)C=CC(=CC1)C