For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Propanedioic acid, (2-methyl-4-oxo-2-pentenyl)-, diethyl ester, (E)-
SpectraBase Compound ID A6LqRJAlC1g
InChI InChI=1S/C13H20O5/c1-5-17-12(15)11(13(16)18-6-2)8-9(3)7-10(4)14/h7,11H,5-6,8H2,1-4H3/b9-7+
InChIKey ZFUZZDUKDYLKFD-VQHVLOKHSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID kmLrhy0zCc
Name Propanedioic acid, (2-methyl-4-oxo-2-pentenyl)-, diethyl ester, (E)-
Alternate Name(s) Diethyl 2-(2'-methyl-4'-oxopent-2-enyl)malonate Diethyl 2-[(2E)-2-methyl-4-oxo-2-pentenyl]malonate
CAS Registry Number 63082-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-5-17-12(15)11(13(16)18-6-2)8-9(3)7-10(4)14/h7,11H,5-6,8H2,1-4H3/b9-7+
InChIKey ZFUZZDUKDYLKFD-VQHVLOKHSA-N
Molecular Weight 256.298 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)C\C(=C\C(=O)C)C
SPLASH splash10-0006-7910000000-63b5196d47a6fcc56881
Source of Spectrum B-30-559-0
Wiley ID 1259561