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diethyl 3-acetyl-4-methyl-hept-3-enedioate
SpectraBase Compound ID K9S9bFh1udE
InChI InChI=1S/C14H22O5/c1-5-18-13(16)8-7-10(3)12(11(4)15)9-14(17)19-6-2/h5-9H2,1-4H3
InChIKey KATBHDLCDZFGMH-UHFFFAOYSA-N
Mol Weight 270.32 g/mol
Molecular Formula C14H22O5
Exact Mass 270.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1xpcMqaKki
Name diethyl 3-acetyl-4-methyl-hept-3-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.146723803 u
Formula C14H22O5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C14H22O5/c1-5-18-13(16)8-7-10(3)12(11(4)15)9-14(17)19-6-2/h5-9H2,1-4H3
InChIKey KATBHDLCDZFGMH-UHFFFAOYSA-N
Inlet Type Split injector
Instrument Name Shimadzu-GCMS QP 2010 ULTRA
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801197
Quality 339
SMILES C(CC(OCC)=O)(=C(CCC(=O)OCC)C)C(C)=O
SPLASH splash10-0ufr-3900000000-7425af37eb597ec797d1
Sample Comments Mixture of E/Z
Source of Spectrum K1-2018-SM20-3 (DOI: 10.1002/ejoc.201801197)
Wiley ID 1896949