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Ketone, methyl 2-pyridyl, 4-ethyl-3-thiosemicarbazide

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Ketone, methyl 2-pyridyl, 4-ethyl-3-thiosemicarbazide
SpectraBase Compound ID 9OS6fur2oBX
InChI InChI=1S/C10H14N4S/c1-3-11-10(15)14-13-8(2)9-6-4-5-7-12-9/h4-7H,3H2,1-2H3,(H2,11,14,15)/b13-8+
InChIKey JTHKAYIQGRORJA-MDWZMJQESA-N
Mol Weight 222.31 g/mol
Molecular Formula C10H14N4S
Exact Mass 222.093918 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 94Hc4QOIs6A
Name Ketone, methyl 2-pyridyl, 4-ethyl-3-thiosemicarbazide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.093917641 u
Formula C10H14N4S
InChI InChI=1S/C10H14N4S/c1-3-11-10(15)14-13-8(2)9-6-4-5-7-12-9/h4-7H,3H2,1-2H3,(H2,11,14,15)/b13-8+
InChIKey JTHKAYIQGRORJA-MDWZMJQESA-N
Molecular Weight 222.310 g/mol
SMILES C1=NC(\C(C)=N\NC(NCC)=S)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922181