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4H-1-benzopyran-3-carboxylic acid-2-ethyl-ethyl ester
SpectraBase Compound ID HsnYeARPrMI
InChI InChI=1S/C14H16O3/c1-3-12-11(14(15)16-4-2)9-10-7-5-6-8-13(10)17-12/h5-8H,3-4,9H2,1-2H3
InChIKey WSSRPCABEKFLOO-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qhP5DR8kir
Name 4H-1-benzopyran-3-carboxylic acid-2-ethyl-ethyl ester
Alternate Name(s) Ethyl 2-ethyl-4H-chromene-3-carboxylate 2-Ethyl-4H-1-benzopyran-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-3-12-11(14(15)16-4-2)9-10-7-5-6-8-13(10)17-12/h5-8H,3-4,9H2,1-2H3
InChIKey WSSRPCABEKFLOO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200347g
Molecular Weight 232.279 g/mol
SMILES c1ccc2OC(=C(Cc2c1)C(OCC)=O)CC
SPLASH splash10-0f8l-1950000000-98adc6d03f6f9a3ed631
Source of Spectrum A1-13-1972/SMS15-3g
Wiley ID 1753016