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PHENTOLAMINE;PHE;3-[(4,5-DIHYDRO-1-H-IMIDAZOL-2-YLMETHYL)-(4-METHYLPHENYL)-AMINO]-PHENOL
SpectraBase Compound ID IThTWWRttsU
InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
InChIKey MRBDMNSDAVCSSF-UHFFFAOYSA-N
Mol Weight 281.36 g/mol
Molecular Formula C17H19N3O
Exact Mass 281.152812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HkZNFSc2Km
Name Phentolamine
CAS Registry Number 50-60-2
Classification Pharmaceutical drug, alpha-1-antagonist anti-hypertonic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 281.152812243 u
Formula C17H19N3O
InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
InChIKey MRBDMNSDAVCSSF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 281.359 g/mol
Nominal Mass 281 u
Quality 909
SMILES OC1=CC(N(C2=CC=C(C=C2)C)CC=2NCCN2)=CC=C1
SPLASH splash10-001i-2980000000-cce347af869a955e3be9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-[N-(Imidazolin-2-yl-methyl)-4-methylanilino]phenol
Technique DI/MS
Wiley ID DD2024_003559