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Semicarbazide, 1-(3-methoxy-benzoyl)-4-phenyl-3-thia-

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Semicarbazide, 1-(3-methoxy-benzoyl)-4-phenyl-3-thia-
SpectraBase Compound ID 1oSPJbAfFVP
InChI InChI=1S/C15H15N3O2S/c1-20-13-9-5-6-11(10-13)14(19)17-18-15(21)16-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)(H2,16,18,21)
InChIKey PKUUEXQVZUMLMA-UHFFFAOYSA-N
Mol Weight 301.36 g/mol
Molecular Formula C15H15N3O2S
Exact Mass 301.088498 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3T0rKpCZ65g
Name Semicarbazide, 1-(3-methoxy-benzoyl)-4-phenyl-3-thia-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.088497907 u
Formula C15H15N3O2S
InChI InChI=1S/C15H15N3O2S/c1-20-13-9-5-6-11(10-13)14(19)17-18-15(21)16-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)(H2,16,18,21)
InChIKey PKUUEXQVZUMLMA-UHFFFAOYSA-N
Molecular Weight 301.364 g/mol
SMILES C(NNC(C1=CC(OC)=CC=C1)=O)(NC1=CC=CC=C1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86611