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Phentolamine-A AC
SpectraBase Compound ID 6DIRx36TwAV
InChI InChI=1S/C18H23N3O2/c1-13-7-9-15(10-8-13)21(12-18(19)20-3)16-5-4-6-17(11-16)23-14(2)22/h4-11,18,20H,12,19H2,1-3H3
InChIKey PHNGLFBAVFEIFG-UHFFFAOYSA-N
Mol Weight 313.4 g/mol
Molecular Formula C18H23N3O2
Exact Mass 313.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7srdEzM3QDi
Name Phentolamine artifact AC
Classification Antihypertensive
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Exact Mass 313.179026991 u
Formula C18H23N3O2
InChI InChI=1S/C18H23N3O2/c1-13-7-9-15(10-8-13)21(12-18(19)20-3)16-5-4-6-17(11-16)23-14(2)22/h4-11,18,20H,12,19H2,1-3H3
InChIKey PHNGLFBAVFEIFG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 313.401 g/mol
SMILES Cc1ccc(N(c2cc(OC(=O)C)ccc2)CC(NC)N)cc1
SPLASH splash10-0j4l-7692000000-b96b7374385bc4234b9c
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5201