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(R)-(-)-Rolipram
SpectraBase Compound ID JQZWOwu5Tlh
InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKey HJORMJIFDVBMOB-LBPRGKRZSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfhrKMLTAgZ
Name (R)-(-)-Rolipram
Appearance White solid
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Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKey HJORMJIFDVBMOB-LBPRGKRZSA-N
Ionization Type EI
Molecular Weight 275.348 g/mol
Optical Rotation [a]D27 = -33.0 (c = 1.00, MeOH)
Reported Formula C16H21NO3
SMILES N1C[C@](CC1=O)(c1ccc(c(c1)OC1CCCC1)OC)[H]
SPLASH splash10-0udi-0900000000-8609294f3e5b5d049827
Sample Comments 99% ee
Source of Spectrum CN101979378B
Wiley ID 1844620