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3-(3,6-dioxocyclohexa-1,4-dien-1-yl)propyl propanoate
SpectraBase Compound ID 7AG2BUBjTEi
InChI InChI=1S/C12H14O4/c1-2-12(15)16-7-3-4-9-8-10(13)5-6-11(9)14/h5-6,8H,2-4,7H2,1H3
InChIKey QDJOCCGEOCRGGV-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7RPshnfbI4
Name 3-(3,6-dioxocyclohexa-1,4-dien-1-yl)propyl propanoate
Alternate Name(s) 3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propyl propanoate Propanoic acid 3-(3,6-dioxo-1-cyclohexa-1,4-dienyl)propyl ester Propionic acid 3-(3,6-diketocyclohexa-1,4-dien-1-yl)propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-2-12(15)16-7-3-4-9-8-10(13)5-6-11(9)14/h5-6,8H,2-4,7H2,1H3
InChIKey QDJOCCGEOCRGGV-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C1(=CC(=O)C=CC1=O)CCCOC(=O)CC
SPLASH splash10-0002-0900000000-09c03b3187c15e351214
Source of Spectrum K-127-871-27
Wiley ID 1222307