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Trimethyl octahydro-1-oxo-8-phenylnaphthalene-3,6,7-tricarboxylate isomer
SpectraBase Compound ID 91hykZ9UCsh
InChI InChI=1S/C22H24O7/c1-27-20(24)14-9-13-10-15(21(25)28-2)19(22(26)29-3)18(17(13)16(23)11-14)12-7-5-4-6-8-12/h4-8,14-15,18-19H,9-11H2,1-3H3
InChIKey FTSCDOHXHIAPJT-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C22H24O7
Exact Mass 400.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLfEd6PmvG9
Name Trimethyl octahydro-1-oxo-8-phenylnaphthalene-3,6,7-tricarboxylate isomer
Alternate Name(s) Trimethyl 8-oxo-1-phenyl-1,2,3,4,5,6,7,8-octahydro-2,3,6-naphthalenetricarboxylate
CAS Registry Number 88483-80-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O7
InChI InChI=1S/C22H24O7/c1-27-20(24)14-9-13-10-15(21(25)28-2)19(22(26)29-3)18(17(13)16(23)11-14)12-7-5-4-6-8-12/h4-8,14-15,18-19H,9-11H2,1-3H3
InChIKey FTSCDOHXHIAPJT-UHFFFAOYSA-N
Molecular Weight 400.427 g/mol
SMILES C12=C(CC(C(C2c2ccccc2)C(=O)OC)C(=O)OC)CC(CC1=O)C(=O)OC
SPLASH splash10-0ul0-0094500000-c87e411d7ce12a342dd9
Source of Spectrum AJ-57-3229-14
Wiley ID 1369403