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N-[.alpha.-(9'-Thioxanthenyl)benzyl]formamide

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

N-[.alpha.-(9'-Thioxanthenyl)benzyl]formamide
SpectraBase Compound ID L16Ljg02hEn
InChI InChI=1S/C21H17NOS/c23-14-22-21(15-8-2-1-3-9-15)20-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)20/h1-14,20-21H,(H,22,23)
InChIKey WUYMWOZRPLEDNP-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C21H17NOS
Exact Mass 331.103085 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KtGKs3zNXjD
Name N-[.alpha.-(9'-Thioxanthenyl)benzyl]formamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.103085344 u
Formula C21H17NOS
InChI InChI=1S/C21H17NOS/c23-14-22-21(15-8-2-1-3-9-15)20-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)20/h1-14,20-21H,(H,22,23)
InChIKey WUYMWOZRPLEDNP-UHFFFAOYSA-N
Molecular Weight 331.433 g/mol
SMILES C1(C2=C(C=CC=C2)SC2=C1C=CC=C2)C(NC=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953959