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Carboxin
SpectraBase Compound ID IPKw4afvJUv
InChI InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey GYSSRZJIHXQEHQ-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4x4hzNZvnN
Name Carboxin
CAS Registry Number 5234-68-4
Classification Fungicide
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Exact Mass 235.066699835 u
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey GYSSRZJIHXQEHQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 235.301 g/mol
SMILES C1CSC(C(=O)Nc2ccccc2)=C(O1)C
SPLASH splash10-000f-4940000000-432c051f83f47a9d7758
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3884