Debug Info

object
{24}
_id
:
4DEhYhljvrU
compoundID
:
4DEhYhljvrU
ambiguous
:
false
names
[0]
name
:
METHYL-6-(3-OCTYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-6-OXOHEXANOATE
ambiguousSiblings
[0]
hasStructure
:
true
recordSources
[1]
properties
{7}
spectrumSourcesMap
{1}
spectrumSourcesMapSuggestedOrder
[1]
otherEnantiomer1Compound
{1}
saltCompounds
[0]
isotopicCompounds
[0]
stereoisomerCompounds
[0]
stereoisomerSaltCompounds
[0]
similarCompounds
[10]
vendors
[0]
articles
[1]
lastUpdated
:
1735071411015
isDeprecated
:
false
productInfo
[0]
spectrumSourcesMapCountOriginal
:
1
spectrumSourcesMapCountFiltered
:
1

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  • ImageFullMS
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METHYL-6-(3-OCTYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-6-OXOHEXANOATE
SpectraBase Compound ID 4DEhYhljvrU
InChI InChI=1S/C22H38O3S/c1-3-4-5-6-7-10-15-26-22-18-14-13-17(16-18)21(22)19(23)11-8-9-12-20(24)25-2/h17-18,21-22H,3-16H2,1-2H3/t17-,18+,21+,22-/m0/s1
InChIKey JCPVVEVVGAGSGY-KKXYHZGYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C22H38O3S
Exact Mass 382.254166 g/mol
Enantiomer InChIKey JCPVVEVVGAGSGY-JZZBYWGLSA-N
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