Diethyl 2-(acetylamino)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]malonate

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Systematic / IUPAC Name: Diethyl acetamido[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]malonate

ID: Reference4463

Other Names: 1,3-Diethyl 2-acetamido-2-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]propanedioate;
Propanedioic acid, 2-(acetylamino)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-, diethyl ester

Formula: C18H22FNO7

Spectral Data

Diethyl 2-(acetylamino)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]malonate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/8/2016 7:16:27 AM
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Identificators

InChI InChI=1S/C18H22FNO7/c1-4-25-16(22)18(20-11(3)21,17(23)26-5-2)8-12-6-14(19)7-13-9-24-10-27-15(12)13/h6-7H,4-5,8-10H2,1-3H3,(H,20,21)
InChI Key IIRIQCMAXMPBHO-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C(CC1=C2C(=CC(=C1)F)COCO2)(C(=O)OCC)NC(=O)C
CAS
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Other Names 1,3-Diethyl 2-acetamido-2-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]propanedioate;
Propanedioic acid, 2-(acetylamino)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-, diethyl ester

In Other Databases

ChemSpider 2094127
PubChem 2815763