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 |