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Phenyltoloxamine-M 2AC
SpectraBase Compound ID CR3T6oUiuHs
InChI InChI=1S/C21H25NO5/c1-15(23)22(3)11-12-26-19-8-6-5-7-18(19)13-17-9-10-20(25-4)21(14-17)27-16(2)24/h5-10,14H,11-13H2,1-4H3
InChIKey ACHZMIKNWKJGOE-UHFFFAOYSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPulOAVi7rp
Name Phenyltoloxamine-M 2AC
Classification Antihistamine
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 371.173272904 u
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-15(23)22(3)11-12-26-19-8-6-5-7-18(19)13-17-9-10-20(25-4)21(14-17)27-16(2)24/h5-10,14H,11-13H2,1-4H3
InChIKey ACHZMIKNWKJGOE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 371.433 g/mol
SMILES c1cc(cc(OC(C)=O)c1OC)Cc1ccccc1OCCN(C)C(C)=O
SPLASH splash10-0udi-1911000000-f8da3ecb5db1ff2fe9ec
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.
Sample Preparation Procedure Detected: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Phenyltoloxamine-M (nor-HO-methoxy-) 2AC
Technique GC/MS
Wiley ID MMPW6e_2413