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S-Phenyl 4-(dimethylamino)benzothioate

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

S-Phenyl 4-(dimethylamino)benzothioate
SpectraBase Compound ID BxmvmLkAngr
InChI InChI=1S/C15H15NOS/c1-16(2)13-10-8-12(9-11-13)15(17)18-14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey DOZWVFFEMRYNQQ-UHFFFAOYSA-N
Mol Weight 257.35 g/mol
Molecular Formula C15H15NOS
Exact Mass 257.087435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6OIREEWfjHh
Name S-Phenyl 4-(dimethylamino)benzothioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.087435280 u
Formula C15H15NOS
InChI InChI=1S/C15H15NOS/c1-16(2)13-10-8-12(9-11-13)15(17)18-14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey DOZWVFFEMRYNQQ-UHFFFAOYSA-N
Molecular Weight 257.351 g/mol
SMILES C(SC=1C=CC=CC1)(C1=CC=C(N(C)C)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817754