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Bitolterol

View entire compound with spectra: 1 NMR

Bitolterol
SpectraBase Compound ID 97nc7tapyyJ
InChI InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3
InChIKey FZGVEKPRDOIXJY-UHFFFAOYSA-N
Mol Weight 461.56 g/mol
Molecular Formula C28H31NO5
Exact Mass 461.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DxxmFCEISTT
Name Bitolterol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.220223097 u
Formula C28H31NO5
InChI InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3
InChIKey FZGVEKPRDOIXJY-UHFFFAOYSA-N
Molecular Weight 461.558 g/mol
SMILES C1=C(OC(=O)C2=CC=C(C)C=C2)C(=CC=C1C(O)CNC(C)(C)C)OC(C1=CC=C(C=C1)C)=O