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Acetic acid, [[2-(1,3-benzodioxol-5-yl)ethyl]amino]oxo-, methyl ester
SpectraBase Compound ID 4nZK2gPIQMt
InChI InChI=1S/C12H13NO5/c1-16-12(15)11(14)13-5-4-8-2-3-9-10(6-8)18-7-17-9/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKey NSZXRQZYKLGBHJ-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HscONbkTVal
Name Acetic acid, [[2-(1,3-benzodioxol-5-yl)ethyl]amino]oxo-, methyl ester
Alternate Name(s) Methyl {[2-(1,3-benzodioxol-5-yl)ethyl]amino}(oxo)acetate
CAS Registry Number 124021-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-16-12(15)11(14)13-5-4-8-2-3-9-10(6-8)18-7-17-9/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKey NSZXRQZYKLGBHJ-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES N(C(C(=O)OC)=O)CCc1cc2OCOc2cc1
SPLASH splash10-0002-0900000000-3306653ac2d9be7ca04e
Source of Spectrum J-55-835-16
Wiley ID 1254392