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Isoxsuprine
SpectraBase Compound ID BFfOF3woNJy
InChI InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3
InChIKey BMUKKTUHUDJSNZ-UHFFFAOYSA-N
Mol Weight 301.39 g/mol
Molecular Formula C18H23NO3
Exact Mass 301.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Djr9jWjbHQ8
Name Isoxsuprine
CAS Registry Number 395-28-8
Classification Pharmaceutical drug, sympathomimetic, vasodilator
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 301.167793602 u
Formula C18H23NO3
InChI InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3
InChIKey BMUKKTUHUDJSNZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 301.386 g/mol
Nominal Mass 301 u
Quality 1000
Retention Index 2300
SMILES OC=1C=CC(C(C(NC(COC2=CC=CC=C2)C)C)O)=CC1
SPLASH splash10-004i-5900000000-1a72689fcf00cb8d5129
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Isoksuprin Isosuprin 4-[1-Hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
Technique GC/MS
Wiley ID DD2024_007444