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Olopatadine ME II
SpectraBase Compound ID 9oqWRsW990y
InChI InChI=1S/C22H25NO3/c1-23(2)12-6-9-19-18-8-5-4-7-17(18)15-26-21-11-10-16(13-20(19)21)14-22(24)25-3/h4-5,7-11,13H,6,12,14-15H2,1-3H3/b19-9-
InChIKey UGDFSHGFPJSALM-OCKHKDLRSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHKWi4rtABM
Name Olopatadine ME I
Classification Pharmaceutical drug, anti-allergic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 351.183443666 u
Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-23(2)12-6-9-19-18-8-5-4-7-17(18)15-26-21-11-10-16(13-20(19)21)14-22(24)25-3/h4-5,7-11,13H,6,12,14-15H2,1-3H3/b19-9-
InChIKey UGDFSHGFPJSALM-OCKHKDLRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 351.446 g/mol
Nominal Mass 351 u
Quality 997
Retention Index 2639
SMILES C1=2\C(C=3C(COC2C=CC(=C1)CC(OC)=O)=CC=CC3)=C/CCN(C)C
SPLASH splash10-0a4i-9000000000-2a9c096c7b90e6ca9e2b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl ((11Z)-11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate
Technique GC/MS
Wiley ID DD2024_003392