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Oxoisophorone - bisketal
SpectraBase Compound ID JLpI4Co2aqU
InChI InChI=1S/C13H20O4/c1-10-8-12(14-4-5-15-12)9-11(2,3)13(10)16-6-7-17-13/h8H,4-7,9H2,1-3H3
InChIKey AIQSJTABVTXUFO-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1M89UpQ7WEk
Name Oxoisophorone - bisketal
Alternate Name(s) 6,14,14-Trimethyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradec-6-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-10-8-12(14-4-5-15-12)9-11(2,3)13(10)16-6-7-17-13/h8H,4-7,9H2,1-3H3
InChIKey AIQSJTABVTXUFO-UHFFFAOYSA-N
Molecular Weight 240.299 g/mol
SMILES C12(C(=CC3(CC2(C)C)OCCO3)C)OCCO1
SPLASH splash10-0udi-2900000000-752d539e3e403ad5d401
Source of Spectrum U-1994-919-5
Wiley ID 766229