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Mitragynaline

View entire compound with spectra: 1 MS (GC)

Mitragynaline
SpectraBase Compound ID H1ZbggXDV1x
InChI InChI=1S/C22H24N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)27-2)23-21(14)18(24)10-15(13)16(12-25)22(26)28-3/h5-7,10,12-13,23H,4,8-9,11H2,1-3H3/b16-15-/t13-/m1/s1
InChIKey GECMIUBZTNLYLS-JFVSRZABSA-N
Mol Weight 380.44 g/mol
Molecular Formula C22H24N2O4
Exact Mass 380.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXpGxxRAv4J
Name Mitragynaline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O4
InChI InChI=1S/C22H24N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)27-2)23-21(14)18(24)10-15(13)16(12-25)22(26)28-3/h5-7,10,12-13,23H,4,8-9,11H2,1-3H3/b16-15-/t13-/m1/s1
InChIKey GECMIUBZTNLYLS-JFVSRZABSA-N
Molecular Weight 380.444 g/mol
SMILES [nH]1c2cccc(c2c2CCN3C(c12)=C\C([C@@](C3)(CC)[H])=C/(C(=O)OC)C=O)OC
SPLASH splash10-001i-0019000000-af20094cf40b2a7dcb89
Source of Spectrum AT-42-1743-3
Wiley ID 855002