Debug Info

object
{24}
_id
:
wNvzzy6E75
compoundID
:
wNvzzy6E75
ambiguous
:
true
names
[0]
name
:
TERT.-BUTYL-3-[N-(4-CHLOROPHENYL)-AMINO]-2-(TERT.-BUTYLTHIO)-4,4,4-TRIFLUOROBUTANOATE
ambiguousSiblings
[1]
hasStructure
:
true
recordSources
[1]
properties
{7}
spectrumSourcesMap
{1}
spectrumSourcesMapSuggestedOrder
[1]
otherEnantiomer1Compound
{1}
saltCompounds
[0]
isotopicCompounds
[0]
stereoisomerCompounds
[2]
stereoisomerSaltCompounds
[0]
similarCompounds
[9]
vendors
[0]
articles
[1]
lastUpdated
:
1726980453168
isDeprecated
:
false
productInfo
[0]
spectrumSourcesMapCountOriginal
:
1
spectrumSourcesMapCountFiltered
:
1

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TERT.-BUTYL-3-[N-(4-CHLOROPHENYL)-AMINO]-2-(TERT.-BUTYLTHIO)-4,4,4-TRIFLUOROBUTANOATE
SpectraBase Compound ID wNvzzy6E75
InChI InChI=1S/C18H25ClF3NO2S/c1-16(2,3)25-15(24)13(26-17(4,5)6)14(18(20,21)22)23-12-9-7-11(19)8-10-12/h7-10,13-14,23H,1-6H3/t13-,14+/m0/s1
InChIKey OJTRUQUHMBUBFX-UONOGXRCSA-N
Mol Weight 411.91 g/mol
Molecular Formula C18H25ClF3NO2S
Exact Mass 411.124662 g/mol
Enantiomer InChIKey OJTRUQUHMBUBFX-KGLIPLIRSA-N
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