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Doxylamine-M (-C4H11NO,+OH)
SpectraBase Compound ID 2EgrmWAICZf
InChI InChI=1S/C13H11NO/c1-10(13-7-2-3-8-14-13)11-5-4-6-12(15)9-11/h2-9,15H,1H2
InChIKey MIZUBWSJZFNSSO-UHFFFAOYSA-N
Mol Weight 197.24 g/mol
Molecular Formula C13H11NO
Exact Mass 197.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmA4AYKtsxM
Name Doxylamine-M (-C4H11NO,+OH)
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 197.084063977 u
Formula C13H11NO
InChI InChI=1S/C13H11NO/c1-10(13-7-2-3-8-14-13)11-5-4-6-12(15)9-11/h2-9,15H,1H2
InChIKey MIZUBWSJZFNSSO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 197.237 g/mol
Nominal Mass 197 u
Quality 836
Retention Index 1554
SMILES OC1=CC(C(C2=NC=CC=C2)=C)=CC=C1
SPLASH splash10-0002-1900000000-2c4552bb3eb1b465571d
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-(1-(pyridin-2-yl)ethenyl)phenyl acetate
Technique GC/MS
Wiley ID DD2024_006245