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DIETHYL-(E)-2-OXO-3-HEPTENYLPHOSPHONATE
SpectraBase Compound ID 7a1ZWYlpe1q
InChI InChI=1S/C11H21O4P/c1-4-7-8-9-11(12)10-16(13,14-5-2)15-6-3/h8-9H,4-7,10H2,1-3H3/b9-8+
InChIKey XHJWLUQGCUHIFL-CMDGGOBGSA-N
Mol Weight 248.26 g/mol
Molecular Formula C11H21O4P
Exact Mass 248.117746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EV3WDOO4Thl
Name Phosphonic acid, (2-oxo-3-heptenyl)-, diethyl ester, (E)-
Alternate Name(s) Diethyl (3E)-2-oxo-3-heptenylphosphonate Diethyl (E)-2-oxo-3-heptenylphosphonate
CAS Registry Number 123269-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H21O4P
InChI InChI=1S/C11H21O4P/c1-4-7-8-9-11(12)10-16(13,14-5-2)15-6-3/h8-9H,4-7,10H2,1-3H3/b9-8+
InChIKey XHJWLUQGCUHIFL-CMDGGOBGSA-N
Molecular Weight 248.259 g/mol
SMILES C(P(=O)(OCC)OCC)C(\C=C\CCC)=O
SPLASH splash10-006t-3970000000-36a880482be6cdcf7dfb
Source of Spectrum AJ-62-864-4
Wiley ID 1250666