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Phosphoric acid, diethyl 1,3,3a,4,7,7a-hexahydro-7-methoxy-1,3-dioxo-5-isobenzofuranyl ester
SpectraBase Compound ID ElxfqV4HTob
InChI InChI=1S/C13H19O8P/c1-4-18-22(16,19-5-2)21-8-6-9-11(10(7-8)17-3)13(15)20-12(9)14/h7,9-11H,4-6H2,1-3H3/t9-,10?,11-/m0/s1
InChIKey WKYSJGPYHLUMQV-JRUYECLLSA-N
Mol Weight 334.26 g/mol
Molecular Formula C13H19O8P
Exact Mass 334.081755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5ZsyctZYY3
Name Phosphoric acid, diethyl 1,3,3a,4,7,7a-hexahydro-7-methoxy-1,3-dioxo-5-isobenzofuranyl ester
CAS Registry Number 113947-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19O8P
InChI InChI=1S/C13H19O8P/c1-4-18-22(16,19-5-2)21-8-6-9-11(10(7-8)17-3)13(15)20-12(9)14/h7,9-11H,4-6H2,1-3H3/t9-,10?,11-/m0/s1
InChIKey WKYSJGPYHLUMQV-JRUYECLLSA-N
Molecular Weight 334.261 g/mol
SMILES C1([C@]2([C@@](CC(=CC2OC)OP(=O)(OCC)OCC)([H])C(O1)=O)[H])=O
SPLASH splash10-003r-9610000000-67ec9f3f6e99ec2f60dc
Source of Spectrum J-53-2299-19
Synonyms (3aS,7aS)-7-methoxy-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-yl diethyl phosphate Diethyl cis-7-methoxy-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-5-isobenzofuranyl phosphate
Wiley ID 1330587