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5-[3'-(5"-Acetoxy-1"-hydroxyhexylene)-1',2',3',4'-tetrahydro-1',4'-dioxonaphth-2-yl]furan-2(5H)-one
SpectraBase Compound ID GkLYPY0MjuR
InChI InChI=1S/C22H22O7/c1-12(28-13(2)23)6-5-9-16(24)19-20(17-10-11-18(25)29-17)22(27)15-8-4-3-7-14(15)21(19)26/h3-4,7-8,10-12,17,20,24H,5-6,9H2,1-2H3/b19-16-
InChIKey VOMAHLBAWLFEFR-MNDPQUGUSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Sk0iYkpHof
Name 5-[3'-(5"-Acetoxy-1"-hydroxyhexylene)-1',2',3',4'-tetrahydro-1',4'-dioxonaphth-2-yl]furan-2(5H)-one
Alternate Name(s) 5-[3'-(5''-Acetoxy-1''-hydroxyhexylene)-1',2',3',4'-tetrahydro-1',4'-dioxonaphth-2-yl]furan-2(5H)-one Acetic acid 5-[1,4-dioxo-3-(5-oxo-2,5-dihydro-furan-2-yl)-3,4-dihydro-1H-naphthalen-(2Z)-ylidene]-5-hydroxy-1-methyl-pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-12(28-13(2)23)6-5-9-16(24)19-20(17-10-11-18(25)29-17)22(27)15-8-4-3-7-14(15)21(19)26/h3-4,7-8,10-12,17,20,24H,5-6,9H2,1-2H3/b19-16-
InChIKey VOMAHLBAWLFEFR-MNDPQUGUSA-N
Molecular Weight 398.411 g/mol
SMILES O\C(=C\1C(C(=O)c2c(C1=O)cccc2)C1OC(=O)C=C1)CCCC(OC(=O)C)C
SPLASH splash10-00ks-0049000000-a048f833ce8d94efba94
Source of Spectrum KC-1992-582-13
Wiley ID 776084