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object
{15}
_id
:
6uoCLLQziKb
spectrumID
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6uoCLLQziKb
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:249879:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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(1S,6S,7R,8S,9R)-9-METHYL-8-PHENYL-6-[(1R,2S)-(2-PHENYLCYCLOHEXYL)-OXY]-4-AZA-3,5-DIOXATRICYCLO-[5.2.1.0(4,9)]-DECANE
SpectraBase Compound ID 5TGf1YA0YHg
InChI InChI=1S/C26H31NO3/c1-26-20-16-22(24(26)19-12-6-3-7-13-19)25(30-27(26)28-17-20)29-23-15-9-8-14-21(23)18-10-4-2-5-11-18/h2-7,10-13,20-25H,8-9,14-17H2,1H3/t20-,21+,22-,23-,24+,25-,26+/m1/s1
InChIKey GXMJJKHUQSNKNH-SLPSWFSDSA-N
Mol Weight 405.54 g/mol
Molecular Formula C26H31NO3
Exact Mass 405.230394 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uoCLLQziKb
Name (1S,6S,7R,8S,9R)-9-METHYL-8-PHENYL-6-[(1R,2S)-(2-PHENYLCYCLOHEXYL)-OXY]-4-AZA-3,5-DIOXATRICYCLO-[5.2.1.0(4,9)]-DECANE
Compound Number 10E
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31NO3
InChI InChI=1S/C26H31NO3/c1-26-20-16-22(24(26)19-12-6-3-7-13-19)25(30-27(26)28-17-20)29-23-15-9-8-14-21(23)18-10-4-2-5-11-18/h2-7,10-13,20-25H,8-9,14-17H2,1H3/t20-,21+,22-,23-,24+,25-,26+/m1/s1
InChIKey GXMJJKHUQSNKNH-SLPSWFSDSA-N
Literature Reference Author S.E.DENMARK,J.A.DIXON
Literature Reference Citation J.ORG.CHEM.,63,6178(1998)
Literature Reference DOI 10.1021/jo9802170
Molecular Weight 405.537 g/mol
Sample ID 28883
Solvent C6D6
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