Debug Info

object
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_id
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8pigCkSVORH
spectrumID
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8pigCkSVORH
cost
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1
specType
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4096
xnmrNucleus
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SAX:57683:17997457150985119730
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properties
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analyticalTechnique
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FTIR
analyticalTechniqueLongName
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Transmission Infrared (IR) Spectrum
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1735074081058
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4-(2-acetamido-5-tert-butylphenyl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID bvsyOctjF6
InChI InChI=1S/C16H23N3O3S/c1-6-22-15(21)19-14(23)18-13-9-11(16(3,4)5)7-8-12(13)17-10(2)20/h7-9H,6H2,1-5H3,(H,17,20)(H2,18,19,21,23)
InChIKey SGXOKIOOYIAURK-UHFFFAOYSA-N
Mol Weight 337.44 g/mol
Molecular Formula C16H23N3O3S
Exact Mass 337.146013 g/mol
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Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8pigCkSVORH
Name 4-(2-ACETAMIDO-5-tert-BUTYLPHENYL)-3-THIOALLOPHANIC ACID, ETHYL ESTER
Source of Sample L. Grehn, University of Uppsala, Uppsala, Sweden
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23N3O3S
InChI InChI=1S/C16H23N3O3S/c1-6-22-15(21)19-14(23)18-13-9-11(16(3,4)5)7-8-12(13)17-10(2)20/h7-9H,6H2,1-5H3,(H,17,20)(H2,18,19,21,23)
InChIKey SGXOKIOOYIAURK-UHFFFAOYSA-N
Molecular Weight 337.437988
Synonyms ALLOPHANIC ACID, 4-/2-ACETAMIDO- 5-TERT-BUTYLPHENYL/-3-THIO-, ETHYL ESTER
Technique KBr WAFER
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