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1,4-Benzodioxin-2-acetic acid, 2,3-dihydro-, ethyl ester

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

1,4-Benzodioxin-2-acetic acid, 2,3-dihydro-, ethyl ester
SpectraBase Compound ID 6nG67BV4fk9
InChI InChI=1S/C12H14O4/c1-2-14-12(13)7-9-8-15-10-5-3-4-6-11(10)16-9/h3-6,9H,2,7-8H2,1H3
InChIKey UIYRLHCIXDXNFJ-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 BCfxSMTNSz7
Name 1,4-Benzodioxin-2-acetic acid, 2,3-dihydro-, ethyl ester
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/c1-2-14-12(13)7-9-8-15-10-5-3-4-6-11(10)16-9/h3-6,9H,2,7-8H2,1H3
InChIKey UIYRLHCIXDXNFJ-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C=12OC(COC2=CC=CC1)CC(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821588