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Scopolamine
SpectraBase Compound ID 6pWIW90vSxX
InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12?,13-,14+,15?,16?
InChIKey STECJAGHUSJQJN-QUFRNCFNSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wCXlF3veq
Name Scopolamine
CAS Registry Number 51-34-3
Classification Anticholinergic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 303.147058156 u
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12?,13-,14+,15?,16?
InChIKey STECJAGHUSJQJN-QUFRNCFNSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.358 g/mol
SMILES CN1[C@]2(C3OC3[C@@]1(CC(C2)OC(C(CO)c1ccccc1)=O)[H])[H]
SPLASH splash10-0f7c-9700000000-2d2affc96d9c7f988a74
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: G U
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_959