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(+)-(1R,2R,6S,7S)-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-3,5-dione
SpectraBase Compound ID IB10rDKoVFv
InChI InChI=1S/C17H17NO3/c19-9-13(10-4-2-1-3-5-10)18-16(20)14-11-6-7-12(8-11)15(14)17(18)21/h1-7,11-15,19H,8-9H2/t11-,12+,13-,14+,15-/m0/s1
InChIKey JTAJGWDEKZMHAW-ZQNQSHIBSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lJZ64FoMVG
Name (+)-(1R,2R,6S,7S)-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-3,5-dione
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c19-9-13(10-4-2-1-3-5-10)18-16(20)14-11-6-7-12(8-11)15(14)17(18)21/h1-7,11-15,19H,8-9H2/t11-,12+,13-,14+,15-/m0/s1
InChIKey JTAJGWDEKZMHAW-ZQNQSHIBSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.906
Molecular Weight 283.327 g/mol
Optical Rotation [a]D20 = +4.6 (c = 0.91, CHCl3)
SMILES OC[C@](N1C([C@]2([C@]([C@]3(C[C@@]2(C=C3)[H])[H])(C1=O)[H])[H])=O)(c1ccccc1)[H]
SPLASH splash10-0f79-0950000000-8d8a0ce3535b8f045c6c
Source of Spectrum ARK-2004-39-1
Wiley ID 1876055