For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-(Chloromethyl)-1,3-benzodioxole-4-carboxylic acid ethyl ester

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

5-(Chloromethyl)-1,3-benzodioxole-4-carboxylic acid ethyl ester
SpectraBase Compound ID Cs4reAt5ueT
InChI InChI=1S/C11H11ClO4/c1-2-14-11(13)9-7(5-12)3-4-8-10(9)16-6-15-8/h3-4H,2,5-6H2,1H3
InChIKey ABJNNVDAZXKRPT-UHFFFAOYSA-N
Mol Weight 242.66 g/mol
Molecular Formula C11H11ClO4
Exact Mass 242.034587 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BByxFP8nONA
Name 5-(Chloromethyl)-1,3-benzodioxole-4-carboxylic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.034586530 u
Formula C11H11ClO4
InChI InChI=1S/C11H11ClO4/c1-2-14-11(13)9-7(5-12)3-4-8-10(9)16-6-15-8/h3-4H,2,5-6H2,1H3
InChIKey ABJNNVDAZXKRPT-UHFFFAOYSA-N
Molecular Weight 242.658 g/mol
SMILES C=1(C2=C(OCO2)C=CC1CCl)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814478