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Acetamide, N-tetrahydrofurfuryl-2-phenylthio-
SpectraBase Compound ID 1RoElSf2L3z
InChI InChI=1S/C13H17NO2S/c15-13(14-9-11-5-4-8-16-11)10-17-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,14,15)
InChIKey HYFXXCQTXREDNT-UHFFFAOYSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6bMBz99404i
Name Acetamide, N-tetrahydrofurfuryl-2-phenylthio-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.097999963 u
Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c15-13(14-9-11-5-4-8-16-11)10-17-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,14,15)
InChIKey HYFXXCQTXREDNT-UHFFFAOYSA-N
Molecular Weight 251.344 g/mol
SMILES C1=C(C=CC=C1)SCC(NCC1CCCO1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884299