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1-Propanoyloxy-1-(3,4-methylenedioxyphenyl)ethane

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

1-Propanoyloxy-1-(3,4-methylenedioxyphenyl)ethane
SpectraBase Compound ID 5zrgyuFWpiV
InChI InChI=1S/C12H14O4/c1-3-12(13)16-8(2)9-4-5-10-11(6-9)15-7-14-10/h4-6,8H,3,7H2,1-2H3
InChIKey DYSDHRQLTBXNTQ-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8QfwUVFfvyl
Name 1-Propanoyloxy-1-(3,4-methylenedioxyphenyl)ethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-3-12(13)16-8(2)9-4-5-10-11(6-9)15-7-14-10/h4-6,8H,3,7H2,1-2H3
InChIKey DYSDHRQLTBXNTQ-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C(C)(C=1C=C2C(=CC1)OCO2)OC(CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966577