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(3S,4S)-3-bromanyl-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-4-[1-(phenylmethyl)indol-3-yl]piperidin-2-one
SpectraBase Compound ID Aby55N881w
InChI InChI=1S/C28H27BrN2O2/c29-27-23(15-16-31(28(27)33)26(19-32)21-11-5-2-6-12-21)24-18-30(17-20-9-3-1-4-10-20)25-14-8-7-13-22(24)25/h1-14,18,23,26-27,32H,15-17,19H2/t23-,26-,27-/m0/s1
InChIKey WRMKVVGRNOIHTQ-YGPDHOBYSA-N
Mol Weight 503.44 g/mol
Molecular Formula C28H27BrN2O2
Exact Mass 502.125591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyGQBUfyM6a
Name (3S,4S)-3-bromanyl-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-4-[1-(phenylmethyl)indol-3-yl]piperidin-2-one
Alternate Name(s) (3S,4S)-3-bromo-1-[(1R)-2-hydroxy-1-phenylethyl]-4-[1-(phenylmethyl)-3-indolyl]-2-piperidinone (3S,4S)-4-(1-benzylindol-3-yl)-3-bromo-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-2-piperidone (3S,4S)-4-(1-benzylindol-3-yl)-3-bromo-1-[(1R)-2-hydroxy-1-phenyl-ethyl]piperidin-2-one
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Formula C28H27BrN2O2
InChI InChI=1S/C28H27BrN2O2/c29-27-23(15-16-31(28(27)33)26(19-32)21-11-5-2-6-12-21)24-18-30(17-20-9-3-1-4-10-20)25-14-8-7-13-22(24)25/h1-14,18,23,26-27,32H,15-17,19H2/t23-,26-,27-/m0/s1
InChIKey WRMKVVGRNOIHTQ-YGPDHOBYSA-N
Molecular Weight 503.440 g/mol
SMILES OC[C@](N1CC[C@@](c2c[n](Cc3ccccc3)c3c2cccc3)([C@@](C1=O)(Br)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0006-9000000000-24a6df43f6ddeefa00be
Source of Spectrum SK-26-3046-19
Wiley ID 867262