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3-(1,4-Dioxan-2-yl)propyl benzoate

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

3-(1,4-Dioxan-2-yl)propyl benzoate
SpectraBase Compound ID DFV9tsjOJIV
InChI InChI=1S/C14H18O4/c15-14(12-5-2-1-3-6-12)18-8-4-7-13-11-16-9-10-17-13/h1-3,5-6,13H,4,7-11H2
InChIKey ITTRMPPTDLZYDY-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E6Ru7BAHW5y
Name 3-(1,4-Dioxan-2-yl)propyl benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c15-14(12-5-2-1-3-6-12)18-8-4-7-13-11-16-9-10-17-13/h1-3,5-6,13H,4,7-11H2
InChIKey ITTRMPPTDLZYDY-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES C(=O)(C1=CC=CC=C1)OCCCC1OCCOC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961555