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(+)-(3R,1'S,2'S)-N-(1'-Hydroxy-1'-phenylpropan-2'-yl)-N-methyl-3-(5-methylfuran-2-yl)hexanamide
SpectraBase Compound ID I91XhBuprXv
InChI InChI=1S/C21H29NO3/c1-5-9-18(19-13-12-15(2)25-19)14-20(23)22(4)16(3)21(24)17-10-7-6-8-11-17/h6-8,10-13,16,18,21,24H,5,9,14H2,1-4H3/t16-,18+,21+/m0/s1
InChIKey DPASZGLFKDGEEX-YRISNDGFSA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhLhqDkvRbK
Name (+)-(3R,1'S,2'S)-N-(1'-Hydroxy-1'-phenylpropan-2'-yl)-N-methyl-3-(5-methylfuran-2-yl)hexanamide
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Exact Mass 343.214743795 u
Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-5-9-18(19-13-12-15(2)25-19)14-20(23)22(4)16(3)21(24)17-10-7-6-8-11-17/h6-8,10-13,16,18,21,24H,5,9,14H2,1-4H3/t16-,18+,21+/m0/s1
InChIKey DPASZGLFKDGEEX-YRISNDGFSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302438k
Molecular Weight 343.467 g/mol
Quality 134
Reported Formula C21H29NO3
SMILES O[C@]([C@@](N(C(C[C@@](CCC)(C1=CC=C(O1)C)[H])=O)C)(C)[H])(C1=CC=CC=C1)[H]
SPLASH splash10-0012-4940000000-b5ec1c1a2f8c9cd3d15d
Sample Comments dr = 96:4
Source of Spectrum JOC-78-620-6c (DOI: 10.1021/jo302438k)
Wiley ID 1911697