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(1S*,2S*,3R*)-1,3-di(1,3-dimethoxy-1,3-dioxopropan-2-yl)-7-methyl-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
SpectraBase Compound ID LsOuqWt3bKx
InChI InChI=1S/C28H32O8/c1-15-7-10-17(11-8-15)21-20(23(25(29)33-3)26(30)34-4)14-18-12-9-16(2)13-19(18)22(21)24(27(31)35-5)28(32)36-6/h7-13,20-24H,14H2,1-6H3/t20-,21+,22+/m1/s1
InChIKey WRXQYDWIJLRHBU-FSSWDIPSSA-N
Mol Weight 496.6 g/mol
Molecular Formula C28H32O8
Exact Mass 496.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QUOCISLBk7
Name (1S*,2S*,3R*)-1,3-di(1,3-dimethoxy-1,3-dioxopropan-2-yl)-7-methyl-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
Alternate Name(s) Tetramethyl 2,2'-((1S,2S,3R)-7-methyl-2-(p-tolyl)-1,2,3,4-tetrahydronaphthalene-1,3-diyl)dimalonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O8
InChI InChI=1S/C28H32O8/c1-15-7-10-17(11-8-15)21-20(23(25(29)33-3)26(30)34-4)14-18-12-9-16(2)13-19(18)22(21)24(27(31)35-5)28(32)36-6/h7-13,20-24H,14H2,1-6H3/t20-,21+,22+/m1/s1
InChIKey WRXQYDWIJLRHBU-FSSWDIPSSA-N
Literature Reference DOI 10.1002/anie.201306186
Molecular Weight 496.556 g/mol
SMILES c1cc2C[C@]([C@@]([C@](c2cc1C)(C(C(=O)OC)C(OC)=O)[H])(c1ccc(cc1)C)[H])(C(C(=O)OC)C(=O)OC)[H]
SPLASH splash10-001j-9371000000-2d533f14683929024dd3
Source of Spectrum ACI-53-SMS23-3b
Wiley ID 1781888