Debug Info

object
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_id
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DT4HSVJCE7j
spectrumID
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DT4HSVJCE7j
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131072
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WMS3X:543232:1
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MS (GC)
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Mass Spectrum (GC)
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1735074081058
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Acetamide, 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-(2-iodophenyl)-
SpectraBase Compound ID EOri6owsEiv
InChI InChI=1S/C17H16IN3OS/c1-10-11(2)13(8-19)17(20-12(10)3)23-9-16(22)21-15-7-5-4-6-14(15)18/h4-7H,9H2,1-3H3,(H,21,22)
InChIKey CLLIJQGQUUPRJK-UHFFFAOYSA-N
Mol Weight 437.3 g/mol
Molecular Formula C17H16IN3OS
Exact Mass 437.005878 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DT4HSVJCE7j
Name Acetamide, 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-(2-iodophenyl)-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16IN3OS
InChI InChI=1S/C17H16IN3OS/c1-10-11(2)13(8-19)17(20-12(10)3)23-9-16(22)21-15-7-5-4-6-14(15)18/h4-7H,9H2,1-3H3,(H,21,22)
InChIKey CLLIJQGQUUPRJK-UHFFFAOYSA-N
Molecular Weight 437.299 g/mol
SMILES N(C(=O)CSc1nc(c(c(c1C#N)C)C)C)c1c(cccc1)I
SPLASH splash10-00kf-2940000000-73c12a033bcf389a9fec
Source of Spectrum IY-1-4565-7
Synonyms 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-(2-iodophenyl)acetamide 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-(2-iodophenyl)acetamide 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-(2-iodophenyl)acetamide 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(2-iodanylphenyl)ethanamide
Wiley ID 1653640
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