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Speciogynine
SpectraBase Compound ID HSQM2D9JOyi
InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16-,19-/m0/s1
InChIKey LELBFTMXCIIKKX-CYSPOEIOSA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2typK8a7oe
Name Speciogynine
CAS Registry Number 4697-67-0
Classification Alkaloid Herbal drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 398.220557450 u
Formula C23H30N2O4
InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16-,19-/m0/s1
InChIKey LELBFTMXCIIKKX-CYSPOEIOSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 398.503 g/mol
SMILES [C@@]1([C@](C[C@]2(c3[nH]c4cccc(OC)c4c3CCN2C1)[H])(\C(C(OC)=O)=C/OC)[H])(CC)[H]
SPLASH splash10-01ot-3964000000-27e45cdce262ad55a7c5
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_7869