Debug Info

object
{23}
_id
:
5aubttTrMDC
compoundID
:
5aubttTrMDC
ambiguous
:
false
names
[5]
name
:
1-[(4-methylphenyl)sulfanyl]-3-nitrodibenzo[b,f]oxepine
ambiguousSiblings
[0]
hasStructure
:
true
recordSources
[1]
properties
{7}
spectrumSourcesMap
{1}
spectrumSourcesMapSuggestedOrder
[1]
saltCompounds
[0]
isotopicCompounds
[0]
stereoisomerCompounds
[0]
stereoisomerSaltCompounds
[0]
similarCompounds
[10]
vendors
[0]
articles
[0]
lastUpdated
:
1735071411015
isDeprecated
:
false
productInfo
[0]
spectrumSourcesMapCountOriginal
:
1
spectrumSourcesMapCountFiltered
:
1

Logged In :

Authorized Features

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  • DataFullSpectraPoints
  • DataReadAll
  • DataReportGeneration
  • ExportCompound
  • ExportStructure
  • ExportSpectrum
  • ImageFullMS
  • ImageHighRes
  • ImageFullAxis
  • SearchSpectral
  • SearchStructure
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1-[(4-methylphenyl)sulfanyl]-3-nitrodibenzo[b,f]oxepine
SpectraBase Compound ID 5aubttTrMDC
InChI InChI=1S/C21H15NO3S/c1-14-6-9-17(10-7-14)26-21-13-16(22(23)24)12-20-18(21)11-8-15-4-2-3-5-19(15)25-20/h2-13H,1H3
InChIKey ZUPDHPRTAGVHTH-UHFFFAOYSA-N
Mol Weight 361.42 g/mol
Molecular Formula C21H15NO3S
Exact Mass 361.077265 g/mol
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