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SCOPOLAMIN
SpectraBase Compound ID CnTjNTwHxWw
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-SDODBCEQSA-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 AhIYZidSHQM
Name SCOPOLAMINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-SDODBCEQSA-N
Instrument Name GC
Molecular Weight 303.358 g/mol
SMILES OCC(c1ccccc1)C(=O)O[C@]1(C[C@@]2(N(C)[C@](C1)([C@]1(O[C@@]21[H])[H])[H])[H])[H]
SPLASH splash10-0006-9500000000-efc7ec81f6fb1b6e9b9f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany