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1-(1,3-benzodioxol-5-yl)ethyl acetate

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

1-(1,3-benzodioxol-5-yl)ethyl acetate
SpectraBase Compound ID 6qPG6rZz4UV
InChI InChI=1S/C11H12O4/c1-7(15-8(2)12)9-3-4-10-11(5-9)14-6-13-10/h3-5,7H,6H2,1-2H3
InChIKey YEARKRYUZWGVSA-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ImsekPk9LJY
Name 1-(3,4-Methylenedioxyphenyl)ethane-1-ol, acetyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.073558862 u
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-7(15-8(2)12)9-3-4-10-11(5-9)14-6-13-10/h3-5,7H,6H2,1-2H3
InChIKey YEARKRYUZWGVSA-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES C(OC(C)=O)(C1=CC2=C(C=C1)OCO2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956993