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Yohimbinic acid (-COOH)
SpectraBase Compound ID 13HI9dqgYvl
InChI InChI=1S/C19H22N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,9,12-13,18,20,22H,5-8,10-11H2/t12-,13-,18-/m0/s1
InChIKey VMSUAWBPZZJPLO-LXIYXOSZSA-N
Mol Weight 294.4 g/mol
Molecular Formula C19H22N2O
Exact Mass 294.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DopOHtXTY3s
Name Yohimbinic acid (-COOH)
Classification Pharmaceutical drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 294.173213335 u
Formula C19H22N2O
InChI InChI=1S/C19H22N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,9,12-13,18,20,22H,5-8,10-11H2/t12-,13-,18-/m0/s1
InChIKey VMSUAWBPZZJPLO-LXIYXOSZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 294.398 g/mol
Nominal Mass 294 u
Quality 840
Retention Index 2583
SMILES OC1=C[C@@]2([C@](CN3[C@](C4=C(C=5C(N4)=CC=CC5)CC3)(C2)[H])(CC1)[H])[H]
SPLASH splash10-0006-1690000000-2e767f5a066002c0ff62
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 16,17-Dehydroyohimban-17-ol
Technique GC/MS
Wiley ID DD2024_004268