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Adrenalone
SpectraBase Compound ID 1OsRonZsDGw
InChI InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
InChIKey PZMVOUYYNKPMSI-UHFFFAOYSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KAvGgeco6q
Name Adrenalone
CAS Registry Number 99-45-6
Classification Pharmaceutical drug, vasoconstrictor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 181.073893215 u
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
InChIKey PZMVOUYYNKPMSI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 181.191 g/mol
Nominal Mass 181 u
Quality 838
SMILES OC=1C=CC(=CC1O)C(CNC)=O
SPLASH splash10-0udi-4900000000-b8a4cc32935631ffa657
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Adrenalon 1-(3,4-dihydroxyphenyl)-2-methylamino-ethanone
Technique DI/MS
Wiley ID DD2024_000056