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Propranolol
SpectraBase Compound ID BMQA0qOZ76Y
InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
InChIKey AQHHHDLHHXJYJD-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOs42JRTWoH
Name Propranolol
CAS Registry Number 525-66-6
Classification Beta-Blocker
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Exact Mass 259.157228918 u
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
InChIKey AQHHHDLHHXJYJD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 259.349 g/mol
SMILES c1cccc2c1c(ccc2)OCC(O)CNC(C)C
SPLASH splash10-00di-9300000000-83d1d0859f4ed44410ce
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: P-I G U UHY
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_927