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2-(2H-1,3-Benzodioxol-5-yl)-1-(morpholin-4-yl)ethanethione

View entire compound with spectra: 1 FTIR

2-(2H-1,3-Benzodioxol-5-yl)-1-(morpholin-4-yl)ethanethione
SpectraBase Compound ID F4zxdyCJSWa
InChI InChI=1S/C13H15NO3S/c18-13(14-3-5-15-6-4-14)8-10-1-2-11-12(7-10)17-9-16-11/h1-2,7H,3-6,8-9H2
InChIKey DJMRAFGZODPWPT-UHFFFAOYSA-N
Mol Weight 265.33 g/mol
Molecular Formula C13H15NO3S
Exact Mass 265.077265 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8iFGbbZNfI4
Name 2-(2H-1,3-Benzodioxol-5-yl)-1-(morpholin-4-yl)ethanethione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.077264518 u
Formula C13H15NO3S
InChI InChI=1S/C13H15NO3S/c18-13(14-3-5-15-6-4-14)8-10-1-2-11-12(7-10)17-9-16-11/h1-2,7H,3-6,8-9H2
InChIKey DJMRAFGZODPWPT-UHFFFAOYSA-N
Molecular Weight 265.327 g/mol
SMILES C1OC2=CC(CC(N3CCOCC3)=S)=CC=C2O1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947608