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BLGXFZZNTVWLAY-UHFFFAOYSA-N
SpectraBase Compound ID 29Fi8LoSvQv
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
InChIKey BLGXFZZNTVWLAY-UHFFFAOYSA-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 2NT9BNJTcW
Name Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)-
Alternate Name(s) Methyl 17-hydroxyyohimban-16-carboxylate (+)-Yohimbin (+)-Yohimbine (16alpha,17alpha)-17-hydroxy-yohimban-16-carboxylic acid methyl ester Beta-yohimbine
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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
InChIKey BLGXFZZNTVWLAY-UHFFFAOYSA-N
Molecular Weight 354.450 g/mol
SMILES [nH]1c2ccccc2c2c1C1CC3C(C(CCC3CN1CC2)O)C(=O)OC
SPLASH splash10-0udi-3429000000-d025f86f275def67c794
Source of Spectrum PS-0-0-82
Wiley ID 1344787