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GRTOGORTSDXSFK-UHFFFAOYSA-N

View entire compound with spectra: 43 NMR, and 6 MS (GC)

GRTOGORTSDXSFK-UHFFFAOYSA-N
SpectraBase Compound ID 87pFcVZO65a
InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3
InChIKey GRTOGORTSDXSFK-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSvvhjBrEtv
Name 3-Iso-19-epi-ajmalicine
CAS Registry Number 25532-46-1
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3
InChIKey GRTOGORTSDXSFK-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference L. Merlini, R. Mondelli, F.W. Wehrli, Helv. Chim. Acta 59, 2254 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3