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Yohimbine
SpectraBase Compound ID 5nrjDA6vgV1
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-SCYLSFHTSA-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 9sVZjux8TvE
Name Yohimbine
Carrier Gas Helium (2.0 mL/min)
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Exact Mass 354.194342702 u
Formula C21H26N2O3
GC Column DB-5MS (30 m x 0.32 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
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-SCYLSFHTSA-N
Inlet Type Split (1:30)
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200800055
Molecular Weight 354.450 g/mol
Quality 7
SMILES N1C2=CC=CC=C2C2=C1[C@]1(N(C[C@]3([C@@]([C@]([C@](CC3)(O)[H])(C(OC)=O)[H])(C1)[H])[H])CC2)[H]
SPLASH splash10-0udi-0109000000-7af65959367ab9d975b1
Source of Spectrum SEP-31-2216-Yohimbine (DOI: 10.1002/jssc.200800055)
Wiley ID 1907956