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(1RS,4SR,5RS)-4-(8-methyl-5-oxo-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-ethanoic acid
SpectraBase Compound ID tjbFu51n0W
InChI InChI=1S/C19H30O5/c1-14(2)7-8-15(20)6-4-5-10-18(3)16-9-11-19(24-16,13-23-18)12-17(21)22/h7,16H,4-6,8-13H2,1-3H3,(H,21,22)
InChIKey MQZJRBPPNYLMEE-UHFFFAOYSA-N
Mol Weight 338.44 g/mol
Molecular Formula C19H30O5
Exact Mass 338.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGTyCCJt7P2
Name (1RS,4SR,5RS)-4-(8-methyl-5-oxo-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-ethanoic acid
Alternate Name(s) (1Rs,4sr,5rs)-4-(8-methyl-5-oxo-7-nonenyl)-4-methyl-3,8-dioxabicyclo(3,2,1)octane-1-ethanoic acid
CAS Registry Number 125590-43-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O5
InChI InChI=1S/C19H30O5/c1-14(2)7-8-15(20)6-4-5-10-18(3)16-9-11-19(24-16,13-23-18)12-17(21)22/h7,16H,4-6,8-13H2,1-3H3,(H,21,22)
InChIKey MQZJRBPPNYLMEE-UHFFFAOYSA-N
Molecular Weight 338.444 g/mol
SMILES OC(CC12OC(CC2)C(OC1)(CCCCC(=O)CC=C(C)C)C)=O
SPLASH splash10-00l6-9420000000-23cbac02a3d33c42142b
Source of Spectrum F-45-3848-37
Wiley ID 1333782