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Levobunolol-A (CH2O,-H2O)

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Levobunolol-A (CH2O,-H2O)
SpectraBase Compound ID 3nUTTOTux2Q
InChI InChI=1S/C18H25NO3/c1-18(2,3)19-10-13(22-12-19)11-21-17-9-5-6-14-15(17)7-4-8-16(14)20/h5-6,9,13H,4,7-8,10-12H2,1-3H3
InChIKey PZEPZGSWWOMYEG-UHFFFAOYSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5YSr3CTtD9b
Name Levobunolol-A (CH2O,-H2O)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.183443666 u
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-18(2,3)19-10-13(22-12-19)11-21-17-9-5-6-14-15(17)7-4-8-16(14)20/h5-6,9,13H,4,7-8,10-12H2,1-3H3
InChIKey PZEPZGSWWOMYEG-UHFFFAOYSA-N
SMILES C12=C(C(CCC2)=O)C=CC=C1OCC1CN(C(C)(C)C)CO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964618