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1-[2'-(3''-Chloro-.alpha.-deuteriobenzyl)-4',5'-dimethoxyphenyl]-propan-2-ol
SpectraBase Compound ID JjhoHy9h6By
InChI InChI=1S/C18H21ClO3/c1-12(20)7-14-10-17(21-2)18(22-3)11-15(14)8-13-5-4-6-16(19)9-13/h4-6,9-12,20H,7-8H2,1-3H3/i8D
InChIKey JSDARIUSVOBOQT-BNEYPBHNSA-N
Mol Weight 321.82 g/mol
Molecular Formula C18H202DClO3
Exact Mass 321.124199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPCyXYH7EQi
Name 1-[2'-(3''-Chloro-.alpha.-deuteriobenzyl)-4',5'-dimethoxyphenyl]-propan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C18H20DClO3
InChI InChI=1S/C18H21ClO3/c1-12(20)7-14-10-17(21-2)18(22-3)11-15(14)8-13-5-4-6-16(19)9-13/h4-6,9-12,20H,7-8H2,1-3H3/i8D
InChIKey JSDARIUSVOBOQT-BNEYPBHNSA-N
Molecular Weight 321.822 g/mol
SMILES OC(Cc1c(cc(c(OC)c1)OC)C(c1cc(Cl)ccc1)[2D])C
SPLASH splash10-00di-0009000000-62489986e18fdf0f3039
Source of Spectrum F2-127-6-5
Wiley ID 1549883