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

*Links on SpectraBase are not permalinks.
Mitraphylline
SpectraBase Compound ID Jn4pfIETtKZ
InChI InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13?,14?,18?,21+/m1/s1
InChIKey JMIAZDVHNCCPDM-XMZNBSJISA-N
Mol Weight 368.43 g/mol
Molecular Formula C21H24N2O4
Exact Mass 368.173607 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 2o20OOXPqOO
Name Mitraphylline
CAS Registry Number 509-80-8
Classification Psychoactive, stimulating
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 368.173607257 u
Formula C21H24N2O4
InChI InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13?,14?,18?,21+/m1/s1
InChIKey JMIAZDVHNCCPDM-XMZNBSJISA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 368.433 g/mol
Nominal Mass 368 u
Quality 963
Retention Index 2983
SMILES [C@]12(C3N(CC4C(C3)C(C(OC)=O)=CO[C@@]4(C)[H])CC2)C2=C(NC1=O)C=CC=C2
SPLASH splash10-00xr-4894000000-9d8786faa8f87c94bbc9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Formosanan-16-carboxylicacid,19-methyl-2-oxo-,methyl ester,(19alpha) Kratom methyl (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano-\r[5,4-f]indolizine-6,3'-indoline]-4-carboxylate
Technique GC/MS
Wiley ID DD2024_032793