Debug Info

object
{24}
_id
:
21tjfPyXDJg
compoundID
:
21tjfPyXDJg
ambiguous
:
false
names
[3]
name
:
(3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
ambiguousSiblings
[0]
hasStructure
:
true
recordSources
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properties
{7}
spectrumSourcesMap
{1}
spectrumSourcesMapSuggestedOrder
[1]
otherEnantiomer1Compound
{1}
saltCompounds
[0]
isotopicCompounds
[0]
stereoisomerCompounds
[0]
stereoisomerSaltCompounds
[0]
similarCompounds
[10]
vendors
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articles
[0]
lastUpdated
:
1735071411015
isDeprecated
:
false
productInfo
[0]
spectrumSourcesMapCountOriginal
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1
spectrumSourcesMapCountFiltered
:
1

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(3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID 21tjfPyXDJg
InChI InChI=1S/C25H31FN2O2/c1-17-6-5-9-25(2)15-23-18(14-20(17)25)19(24(29)30-23)16-27-10-12-28(13-11-27)22-8-4-3-7-21(22)26/h3-4,6-8,14,18-19,23H,5,9-13,15-16H2,1-2H3/t18-,19?,23-,25-/m1/s1
InChIKey DJDMTKVUPCOQPO-DBBLGDKESA-N
Mol Weight 410.53 g/mol
Molecular Formula C25H31FN2O2
Exact Mass 410.236956 g/mol
Enantiomer InChIKey DJDMTKVUPCOQPO-CNLOSGPWSA-N
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  • (3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one
  • (3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
  • (3aR,8aR,9aR)-3-[[4-(2-fluorophenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
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