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3-[(3-Fluoro-4-methoxybenzene)sulfonyl]propanenitrile

View entire compound with spectra: 1 FTIR

3-[(3-Fluoro-4-methoxybenzene)sulfonyl]propanenitrile
SpectraBase Compound ID J2dRqksF43
InChI InChI=1S/C10H10FNO3S/c1-15-10-4-3-8(7-9(10)11)16(13,14)6-2-5-12/h3-4,7H,2,6H2,1H3
InChIKey SOZFFCAXAYITTE-UHFFFAOYSA-N
Mol Weight 243.25 g/mol
Molecular Formula C10H10FNO3S
Exact Mass 243.036543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6sLj0Vu8iGS
Name 3-[(3-Fluoro-4-methoxybenzene)sulfonyl]propanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.036542520 u
Formula C10H10FNO3S
InChI InChI=1S/C10H10FNO3S/c1-15-10-4-3-8(7-9(10)11)16(13,14)6-2-5-12/h3-4,7H,2,6H2,1H3
InChIKey SOZFFCAXAYITTE-UHFFFAOYSA-N
Molecular Weight 243.252 g/mol
SMILES C(CCS(C=1C=C(F)C(OC)=CC1)(=O)=O)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846318