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Propanedioic acid, [4-oxo-3-(phenylamino)-2-cyclopenten-1-yl]-, dimethyl ester
SpectraBase Compound ID C5LlCl32zmk
InChI InChI=1S/C16H17NO5/c1-21-15(19)14(16(20)22-2)10-8-12(13(18)9-10)17-11-6-4-3-5-7-11/h3-8,10,14,17H,9H2,1-2H3
InChIKey LAYJHZHSMWTXQR-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9E3neZPDu9N
Name Propanedioic acid, [4-oxo-3-(phenylamino)-2-cyclopenten-1-yl]-, dimethyl ester
Alternate Name(s) Dimethyl 2-(3'-anilino-4'-oxocyclopent-2'-enyl)propanedioate Dimethyl 2-(3-anilino-4-oxo-2-cyclopenten-1-yl)malonate
CAS Registry Number 99557-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-21-15(19)14(16(20)22-2)10-8-12(13(18)9-10)17-11-6-4-3-5-7-11/h3-8,10,14,17H,9H2,1-2H3
InChIKey LAYJHZHSMWTXQR-UHFFFAOYSA-N
Molecular Weight 303.314 g/mol
SMILES N(C1=CC(C(C(=O)OC)C(=O)OC)CC1=O)c1ccccc1
SPLASH splash10-00di-0903000000-b873ec02c13e6591a6af
Source of Spectrum B-38-962-10
Wiley ID 1305554