Debug Info

object
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_id
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a7qq4HDCi
spectrumID
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a7qq4HDCi
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Mass Spectrum (GC)
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1-[(2-carboxyphenyl)-methylidene]amino-2-thioxo-3-cyclohexyl-4,5-imidazolidinedione
SpectraBase Compound ID Dbb6bvqW0rS
InChI InChI=1S/C17H17N3O4S/c21-14-15(22)20(18-10-11-4-2-1-3-5-11)17(25)19(14)13-8-6-12(7-9-13)16(23)24/h6-11H,1-5H2,(H,23,24)/b18-10+
InChIKey FEJRXMUYZHLWQQ-VCHYOVAHSA-N
Mol Weight 359.4 g/mol
Molecular Formula C17H17N3O4S
Exact Mass 359.093977 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID a7qq4HDCi
Name 1-[(2-carboxyphenyl)-methylidene]amino-2-thioxo-3-cyclohexyl-4,5-imidazolidinedione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3O4S
InChI InChI=1S/C17H17N3O4S/c21-14-15(22)20(18-10-11-4-2-1-3-5-11)17(25)19(14)13-8-6-12(7-9-13)16(23)24/h6-11H,1-5H2,(H,23,24)/b18-10+
InChIKey FEJRXMUYZHLWQQ-VCHYOVAHSA-N
Molecular Weight 359.400 g/mol
SMILES OC(c1ccc(N2C(C(=O)N(\N=C\C3CCCCC3)C2=S)=O)cc1)=O
SPLASH splash10-114l-0947000000-1a268611c08608a9bd82
Source of Spectrum Y1-42B-4-6f
Synonyms (E)-4-(3-((cyclohexylmethylene)amino)-4,5-dioxo-2-thioxoimidazolidin-1-yl)benzoic acid
Wiley ID 1744186
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