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5-(1,2-dimethoxypropyl)-2H-benzo[d]dioxole

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

5-(1,2-dimethoxypropyl)-2H-benzo[d]dioxole
SpectraBase Compound ID E3zyUX3NaRF
InChI InChI=1S/C12H16O4/c1-8(13-2)12(14-3)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,12H,7H2,1-3H3
InChIKey KBFWYURXLBRJDL-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3F3pyiwnJuW
Name 5-(1,2-Dimethoxypropyl)-2H-benzo[D]dioxole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.104858991 u
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-8(13-2)12(14-3)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,12H,7H2,1-3H3
InChIKey KBFWYURXLBRJDL-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES C=1(C=C2OCOC2=CC1)C(C(OC)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840106