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Yohimbine II
SpectraBase Compound ID 84RugCSUvI5
InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18?,19?/m0/s1
InChIKey BLGXFZZNTVWLAY-YAKXIKDJSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oING5LW2W8
Name Yohimbine
CAS Registry Number 146-48-5
Classification Pharmaceutical drug, sympatholytic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 354.194342702 u
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18?,19?/m0/s1
InChIKey BLGXFZZNTVWLAY-YAKXIKDJSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 354.450 g/mol
Nominal Mass 354 u
Quality 914
Retention Index 3269
SMILES OC1C([C@@]2([C@](CN3[C@](C4=C(C=5C(N4)=CC=CC5)CC3)(C2)[H])(CC1)[H])[H])C(OC)=O
SPLASH splash10-0udi-1619000000-44cf209e5c12245ef58c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Corynine Johimbin Johimbina Methyl-17alpha-hydroxy-yohimban-16alpha-carboxylate
Technique GC/MS
Wiley ID DD2024_029821