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5-Phenyl-2-(salicylidenehydrazino)-2-thiazolin-4-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Phenyl-2-(salicylidenehydrazino)-2-thiazolin-4-one
SpectraBase Compound ID Jth5bdVkdwR
InChI InChI=1S/C16H13N3O2S/c20-13-9-5-4-8-12(13)10-17-19-16-18-15(21)14(22-16)11-6-2-1-3-7-11/h1-10,14,20H,(H,18,19,21)/b17-10+
InChIKey BUBNOKOIEQTWIB-LICLKQGHSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H4fRMywSV7y
Name 5-Phenyl-2-(salicylidenehydrazino)-2-thiazolin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.072847843 u
Formula C16H13N3O2S
InChI InChI=1S/C16H13N3O2S/c20-13-9-5-4-8-12(13)10-17-19-16-18-15(21)14(22-16)11-6-2-1-3-7-11/h1-10,14,20H,(H,18,19,21)/b17-10+
InChIKey BUBNOKOIEQTWIB-LICLKQGHSA-N
Molecular Weight 311.359 g/mol
SMILES C1=CC=C(C=C1)C1C(N=C(N\N=C\C=2C(=CC=CC2)O)S1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918575