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5-formyl-1,3-benzodioxole-4-carboxylic acid ethyl ester
SpectraBase Compound ID FU8ZLyJ3ehc
InChI InChI=1S/C11H10O5/c1-2-14-11(13)9-7(5-12)3-4-8-10(9)16-6-15-8/h3-5H,2,6H2,1H3
InChIKey FYGHEHXHPSPGQI-UHFFFAOYSA-N
Mol Weight 222.2 g/mol
Molecular Formula C11H10O5
Exact Mass 222.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ysPkD09dtN
Name 5-formyl-1,3-benzodioxole-4-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 5-formyl-1,3-benzodioxole-4-carboxylate Ethyl 5-methanoyl-1,3-benzodioxole-4-carboxylate
CAS Registry Number 75267-17-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O5
InChI InChI=1S/C11H10O5/c1-2-14-11(13)9-7(5-12)3-4-8-10(9)16-6-15-8/h3-5H,2,6H2,1H3
InChIKey FYGHEHXHPSPGQI-UHFFFAOYSA-N
Molecular Weight 222.196 g/mol
SMILES c1(c2c(OCO2)ccc1C=O)C(=O)OCC
SPLASH splash10-0006-2910000000-1c629f1eed13e4370a7b
Source of Spectrum J-45-5071-0
Wiley ID 1221974