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Phentolamine;phe;3-[(4,5-dihydro-1-H-imidazol-2-ylmethyl)-(4-methylphenyl)-amino]-phenol

View entire compound with spectra: 1 NMR, 1 FTIR, 4 MS (GC), and 21 MS (LC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1qpB1wcP01c
Name Phentolamine;phe;3-[(4,5-dihydro-1-H-imidazol-2-ylmethyl)-(4-methylphenyl)-amino]-phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. 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
SMILES C=1(NCCN1)CN(C1=CC=C(C=C1)C)C1=CC(O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878053