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3-Diethoxyphosphoryl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
SpectraBase Compound ID 1auw7uFGwrU
InChI InChI=1S/C12H21O5P/c1-3-15-18(14,16-4-2)11-9-7-5-6-8-10(9)17-12(11)13/h9-11H,3-8H2,1-2H3
InChIKey LEBYUNYOSXULBK-UHFFFAOYSA-N
Mol Weight 276.27 g/mol
Molecular Formula C12H21O5P
Exact Mass 276.112661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cj8CG9VTSNq
Name 3-Diethoxyphosphoryl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
Alternate Name(s) 3-Diethoxyphosphoryl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one Diethyl 2-oxooctahydro-1-benzofuran-3-ylphosphonate
CAS Registry Number 122593-67-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21O5P
InChI InChI=1S/C12H21O5P/c1-3-15-18(14,16-4-2)11-9-7-5-6-8-10(9)17-12(11)13/h9-11H,3-8H2,1-2H3
InChIKey LEBYUNYOSXULBK-UHFFFAOYSA-N
Molecular Weight 276.269 g/mol
SMILES C1(C(OC2C1CCCC2)=O)P(=O)(OCC)OCC
SPLASH splash10-00g0-9820000000-fa71c90c7dcab7775d79
Source of Spectrum J-54-4753-10
Wiley ID 1279681