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Epinastine
SpectraBase Compound ID 5V29ddUQ6tE
InChI InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
InChIKey WHWZLSFABNNENI-UHFFFAOYSA-N
Mol Weight 249.32 g/mol
Molecular Formula C16H15N3
Exact Mass 249.126597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Db3N1p6BlT5
Name Epinastine
CAS Registry Number 80012-43-7
Classification Antihistamine
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Exact Mass 249.126597495 u
Formula C16H15N3
InChI InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
InChIKey WHWZLSFABNNENI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 249.317 g/mol
SMILES C1c2c(cccc2)C2N(c3c1cccc3)C(=NC2)N
SPLASH splash10-0006-4920000000-9c385f77975b9158ae00
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_7262