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Scopolamine-A (-H2O)
SpectraBase Compound ID ErASUlCUpqw
InChI InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13-,14+,15+,16-
InChIKey JJNVDCBKBUSUII-PWFLSRTFSA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnJvkvYklFN
Name Scopolamine-A (-H2O)
CAS Registry Number 535-26-2
Classification Pharmaceutical drug, anticholinergic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 285.136493473 u
Formula C17H19NO3
InChI InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13-,14+,15+,16-
InChIKey JJNVDCBKBUSUII-PWFLSRTFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 285.343 g/mol
Nominal Mass 285 u
Quality 995
Retention Index 2285
SMILES [C@@]12([C@@]([C@]3(N([C@@]2(C[C@](C3)(OC(C(C=2C=CC=CC2)=C)=O)[H])[H])C)[H])(O1)[H])[H]
SPLASH splash10-0f76-9700000000-b8741c3d263676ef5d4d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl atropate
Technique GC/MS
Wiley ID DD2024_018556