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3-HYDROXY-2-PHENYLPROPIONIC ACID, 8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL ESTER
SpectraBase Compound ID HJTz38dj58a
InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
InChIKey RKUNBYITZUJHSG-PJPHBNEVSA-N
Mol Weight 289.37 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKvoPnFUlrk
Name Atropine @
CAS Registry Number 51-55-8
Classification Anticholinergic
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Exact Mass 289.167793602 u
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
InChIKey RKUNBYITZUJHSG-PJPHBNEVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 289.375 g/mol
SMILES c1ccc(C(C(OC2C[C@@]3(N([C@](C2)(CC3)[H])C)[H])=O)CO)cc1
SPLASH splash10-00di-3910000000-12c7d5331287a6bfa5ee
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: P G U
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Hyoscyamine
Technique GC/MS
Wiley ID MMPW6e_69