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Bisoprolol-A (CH2O,-H2O)

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

Bisoprolol-A (CH2O,-H2O)
SpectraBase Compound ID JqYvSEE60TQ
InChI InChI=1S/C19H31NO4/c1-15(2)20-11-19(24-14-20)13-23-18-7-5-17(6-8-18)12-21-9-10-22-16(3)4/h5-8,15-16,19H,9-14H2,1-4H3
InChIKey OCEBUFVYUICXJX-UHFFFAOYSA-N
Mol Weight 337.46 g/mol
Molecular Formula C19H31NO4
Exact Mass 337.225308 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7nmtF8AUs5K
Name Bisoprolol-A (CH2O,-H2O)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.225308478 u
Formula C19H31NO4
InChI InChI=1S/C19H31NO4/c1-15(2)20-11-19(24-14-20)13-23-18-7-5-17(6-8-18)12-21-9-10-22-16(3)4/h5-8,15-16,19H,9-14H2,1-4H3
InChIKey OCEBUFVYUICXJX-UHFFFAOYSA-N
Molecular Weight 337.460 g/mol
SMILES C1(CN(CO1)C(C)C)COC=1C=CC(=CC1)COCCOC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848723