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Hydrastine
SpectraBase Compound ID HJEQcHZf5JV
InChI InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1
InChIKey JZUTXVTYJDCMDU-MOPGFXCFSA-N
Mol Weight 383.4 g/mol
Molecular Formula C21H21NO6
Exact Mass 383.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVHGplOsogg
Name Hydrastine
Comments (unverified)
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Formula C21H21NO6
InChI InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1
InChIKey JZUTXVTYJDCMDU-MOPGFXCFSA-N
SMILES c12c(CCN([C@]2([C@@]2(c3c(C(O2)=O)c(c(cc3)OC)OC)[H])[H])C)cc2c(c1)OCO2
SPLASH splash10-0006-5900000000-47cafa95117283bbefb6
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences