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Betaxolol-A (CH2O,-H2O)

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

Betaxolol-A (CH2O,-H2O)
SpectraBase Compound ID D25OBWegSc7
InChI InChI=1S/C19H29NO3/c1-15(2)20-11-19(23-14-20)13-22-18-7-5-16(6-8-18)9-10-21-12-17-3-4-17/h5-8,15,17,19H,3-4,9-14H2,1-2H3
InChIKey KPHLYCZVTJOENA-UHFFFAOYSA-N
Mol Weight 319.45 g/mol
Molecular Formula C19H29NO3
Exact Mass 319.214744 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LBPQn1P1Lk3
Name Betaxolol-A (CH2O,-H2O)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.214743795 u
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-15(2)20-11-19(23-14-20)13-22-18-7-5-16(6-8-18)9-10-21-12-17-3-4-17/h5-8,15,17,19H,3-4,9-14H2,1-2H3
InChIKey KPHLYCZVTJOENA-UHFFFAOYSA-N
Molecular Weight 319.445 g/mol
SMILES C1(CN(CO1)C(C)C)COC1=CC=C(C=C1)CCOCC1CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960483