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Diethyl 2-[2-amino-3-(methoxycarbonyl)-4H-chromen-4-yl]malonate
SpectraBase Compound ID KTo8FxR45Se
InChI InChI=1S/C18H21NO7/c1-4-24-17(21)14(18(22)25-5-2)12-10-8-6-7-9-11(10)26-15(19)13(12)16(20)23-3/h6-9,12,14H,4-5,19H2,1-3H3
InChIKey LLJZFSRMALJISU-UHFFFAOYSA-N
Mol Weight 363.37 g/mol
Molecular Formula C18H21NO7
Exact Mass 363.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WWVYZylZRE
Name Diethyl 2-[2-amino-3-(methoxycarbonyl)-4H-chromen-4-yl]malonate
Alternate Name(s) Diethyl 2-(2-amino-3-(methoxycarbonyl)-4H-chromen-4-yl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO7
InChI InChI=1S/C18H21NO7/c1-4-24-17(21)14(18(22)25-5-2)12-10-8-6-7-9-11(10)26-15(19)13(12)16(20)23-3/h6-9,12,14H,4-5,19H2,1-3H3
InChIKey LLJZFSRMALJISU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200700493
Molecular Weight 363.366 g/mol
SMILES NC=1Oc2ccccc2C(C1C(=O)OC)C(C(OCC)=O)C(OCC)=O
SPLASH splash10-0v4m-4930000000-2e7ed8e5a3b548c25e4c
Source of Spectrum ASC-350-591/SM7-7m
Wiley ID 1766055