Debug Info

object
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_id
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2Mh1eM6UeuN
spectrumID
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2Mh1eM6UeuN
cost
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specType
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SAX:30498:17997457150733610452
hasStructureAssignments
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properties
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analyticalTechnique
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FTIR
analyticalTechniqueLongName
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Transmission Infrared (IR) Spectrum
isFullSpectrum
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compound
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{bis[(p-Nitrobenzyl)thio]methylene}malononitrile
SpectraBase Compound ID 5lsVFuChVcY
InChI InChI=1S/C18H12N4O4S2/c19-9-15(10-20)18(27-11-13-1-5-16(6-2-13)21(23)24)28-12-14-3-7-17(8-4-14)22(25)26/h1-8H,11-12H2
InChIKey RTLWBFQLWPKSCH-UHFFFAOYSA-N
Mol Weight 412.44 g/mol
Molecular Formula C18H12N4O4S2
Exact Mass 412.029997 g/mol
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Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2Mh1eM6UeuN
Name {BIS[(p-NITROBENZYL)THIO]METHYLENE}MALONONITRILE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N4O4S2
InChI InChI=1S/C18H12N4O4S2/c19-9-15(10-20)18(27-11-13-1-5-16(6-2-13)21(23)24)28-12-14-3-7-17(8-4-14)22(25)26/h1-8H,11-12H2
InChIKey RTLWBFQLWPKSCH-UHFFFAOYSA-N
Melting Point 124-125C
Molecular Weight 412.437988
Synonyms MALONONITRILE, /BIS//P-NITRO- BENZYL/THIO/METHYLENE/-,
Technique KBr WAFER
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