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Xylometazoline
SpectraBase Compound ID I8RqUkfKNfY
InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKey HUCJFAOMUPXHDK-UHFFFAOYSA-N
Mol Weight 244.38 g/mol
Molecular Formula C16H24N2
Exact Mass 244.193949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VH1MN2o7sW
Name Xylometazoline
CAS Registry Number 526-36-3
Classification Sympathomimetic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 244.193948781 u
Formula C16H24N2
InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKey HUCJFAOMUPXHDK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 244.382 g/mol
Nominal Mass 244 u
Quality 1000
Retention Index 2108
SMILES C=1(C(=CC(C(C)(C)C)=CC1C)C)CC=1NCCN1
SPLASH splash10-004l-3960000000-94215b3e772cb52b2fce
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1H-Imidazole,2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro 2-[(2,6-Dimethyl-4-tert-butyl-phenyl)methyl]-4,5-dihydro-1H-imidazole
Technique GC/MS
Wiley ID DD2024_029921