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1-(1-Adamantylamino)-3-phenoxy-2-propanol, tms

View entire compound with spectra: 1 NMR

1-(1-Adamantylamino)-3-phenoxy-2-propanol, tms
SpectraBase Compound ID 9NaqBKupxXU
InChI InChI=1S/C22H35NO2Si/c1-26(2,3)25-21(16-24-20-7-5-4-6-8-20)15-23-22-12-17-9-18(13-22)11-19(10-17)14-22/h4-8,17-19,21,23H,9-16H2,1-3H3
InChIKey XZFNGHIQWRPNIJ-UHFFFAOYSA-N
Mol Weight 373.6 g/mol
Molecular Formula C22H35NO2Si
Exact Mass 373.243706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pjlELHppEw
Name 1-(1-Adamantylamino)-3-phenoxy-2-propanol, tms
Comments Computed using HOSE algorithm
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Exact Mass 373.243705904 u
Formula C22H35NO2Si
InChI InChI=1S/C22H35NO2Si/c1-26(2,3)25-21(16-24-20-7-5-4-6-8-20)15-23-22-12-17-9-18(13-22)11-19(10-17)14-22/h4-8,17-19,21,23H,9-16H2,1-3H3
InChIKey XZFNGHIQWRPNIJ-UHFFFAOYSA-N
Molecular Weight 373.612 g/mol
SMILES C12(NCC(O[Si](C)(C)C)COC3=CC=CC=C3)CC3CC(C1)CC(C2)C3