For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Scopolamine -H2O                     @
SpectraBase Compound ID C3yGhIsFzHA
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-KDJGIRDZSA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7jGf5qy4l3H
Name N-methyl-3-(1-oxo-2-phenyl-2-propenoxy)-6,7-epoxy-8-azabicyclo[3.2.1]octane
Alternate Name(s) 9-Methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl atropate 3a-acetoxytrop-6.beta.,7.beta.-epoxy-tropane 9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 2-phenylprop-2-enoate Benzeneacetic acid, .alpha.-methylene-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 6.beta.,7.beta.-epoxy-, atropate (ester) Benzeneacetic acid, .alpha.-methylene-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)- Apohyoscine Aposcopolamin (2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-yl 2-phenylacrylate
CAS Registry Number 535-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-KDJGIRDZSA-N
Molecular Weight 285.343 g/mol
SMILES C12C([C@]3(CC(C[C@@]1(N3C)[H])OC(C(c1ccccc1)=C)=O)[H])O2
SPLASH splash10-000f-6920000000-5f20c845cb29bb5a1be4
Source of Spectrum CJ-1992-0-0
Wiley ID 1289043