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Atropine AC                          @
SpectraBase Compound ID HIOeofvh6AV
InChI InChI=1S/C19H25NO4/c1-13(21)23-12-18(14-6-4-3-5-7-14)19(22)24-17-10-15-8-9-16(11-17)20(15)2/h3-7,15-18H,8-12H2,1-2H3/t15-,16+,17?,18?
InChIKey FFTQFHULPHYOIS-OQSMONGASA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExrlfrlgeeY
Name Atropine AC @
Classification Anticholinergic
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Exact Mass 331.178358285 u
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-13(21)23-12-18(14-6-4-3-5-7-14)19(22)24-17-10-15-8-9-16(11-17)20(15)2/h3-7,15-18H,8-12H2,1-2H3/t15-,16+,17?,18?
InChIKey FFTQFHULPHYOIS-OQSMONGASA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 331.412 g/mol
SMILES CC(OCC(c1ccccc1)C(=O)OC1C[C@@]2(N([C@](C1)(CC2)[H])C)[H])=O
SPLASH splash10-00e9-9700000000-68b852f1184858f3014d
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: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Hyoscyamine AC
Technique GC/MS
Wiley ID MMPW6e_71