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4-[1',3']dioxane-2'-yl-6-methoxymethoxy-5-methoxymethyl-3-oxo-1,3-dihydroisobenzofuran-1-carbonitrile
SpectraBase Compound ID 2Ne7ux5vYof
InChI InChI=1S/C17H19NO7/c1-20-8-11-12(24-9-21-2)6-10-13(7-18)25-16(19)14(10)15(11)17-22-4-3-5-23-17/h6,13,17H,3-5,8-9H2,1-2H3
InChIKey LWXUJMPZBMRWLU-UHFFFAOYSA-N
Mol Weight 349.34 g/mol
Molecular Formula C17H19NO7
Exact Mass 349.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Js0r87cfcbB
Name 4-[1',3']dioxane-2'-yl-6-methoxymethoxy-5-methoxymethyl-3-oxo-1,3-dihydroisobenzofuran-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO7
InChI InChI=1S/C17H19NO7/c1-20-8-11-12(24-9-21-2)6-10-13(7-18)25-16(19)14(10)15(11)17-22-4-3-5-23-17/h6,13,17H,3-5,8-9H2,1-2H3
InChIKey LWXUJMPZBMRWLU-UHFFFAOYSA-N
Molecular Weight 349.339 g/mol
SMILES c12C(OC(c2cc(c(c1C1OCCCO1)COC)OCOC)C#N)=O
SPLASH splash10-0002-9112000000-00a978eb244222353cb6
Source of Spectrum F-59-3213-36
Wiley ID 1677871