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Ajmaline
SpectraBase Compound ID Amv9zKe5Bjy
InChI InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10?,11-,14+,15?,16?,17?,18?,19?,20?/m0/s1
InChIKey CJDRUOGAGYHKKD-LYWHTSDUSA-N
Mol Weight 326.44 g/mol
Molecular Formula C20H26N2O2
Exact Mass 326.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdfnNhxIBVr
Name Ajmaline
CAS Registry Number 4360-12-7
Classification Antiarrhythmic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 326.199428083 u
Formula C20H26N2O2
InChI InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10?,11-,14+,15?,16?,17?,18?,19?,20?/m0/s1
InChIKey CJDRUOGAGYHKKD-LYWHTSDUSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 326.440 g/mol
SMILES CCC1[C@]2(C3C(O)C45C([C@](N(C3C5)C1O)(C2)[H])N(C)c1c4cccc1)[H]
SPLASH splash10-002f-0922000000-b754eab62a08880ff768
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2719