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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 2PDxWOG1R5Z
Name Scopolamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 303.358 g/mol
SMILES OCC(C(OC1C[C@]2(N(C)[C@](C3C2O3)(C1)[H])[H])=O)c1ccccc1
SPLASH splash10-000f-9700000000-fb4fda7eeb330cd94356
Source of Spectrum SWG-33-3742-0
Synonyms Hyoscine Scopine tropate Levo-duboisine (-)-(S)-3-hydroxy-2-phenylpropionic acid(1R,2R,4S,7S,9S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester Transdremscop (1R,2R,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-yl 3-hydroxy-2-phenylpropanoate
Wiley ID 1810462