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(1S*,2S*,3R*)-1,3-di(1,3-dimethoxy-1,3-dioxopropan-2-yl)-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
SpectraBase Compound ID LHeFhuBP8CT
InChI InChI=1S/C27H30O8/c1-15-10-12-16(13-11-15)20-19(22(24(28)32-2)25(29)33-3)14-17-8-6-7-9-18(17)21(20)23(26(30)34-4)27(31)35-5/h6-13,19-23H,14H2,1-5H3/t19-,20+,21+/m1/s1
InChIKey RUOFSKLSGUTMRF-HKBOAZHASA-N
Mol Weight 482.53 g/mol
Molecular Formula C27H30O8
Exact Mass 482.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1qFDhQLGh2
Name (1S*,2S*,3R*)-1,3-di(1,3-dimethoxy-1,3-dioxopropan-2-yl)-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
Alternate Name(s) Tetramethyl 2,2'-((1S,2S,3R)-2-(p-tolyl)-1,2,3,4-tetrahydronaphthalene-1,3-diyl)dimalonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O8
InChI InChI=1S/C27H30O8/c1-15-10-12-16(13-11-15)20-19(22(24(28)32-2)25(29)33-3)14-17-8-6-7-9-18(17)21(20)23(26(30)34-4)27(31)35-5/h6-13,19-23H,14H2,1-5H3/t19-,20+,21+/m1/s1
InChIKey RUOFSKLSGUTMRF-HKBOAZHASA-N
Literature Reference DOI 10.1002/anie.201306186
Molecular Weight 482.529 g/mol
SMILES c1([C@@]2([C@@](C(C(=O)OC)C(OC)=O)(c3ccccc3C[C@]2(C(C(=O)OC)C(OC)=O)[H])[H])[H])ccc(cc1)C
SPLASH splash10-014i-2290000000-43b31e479a445a0b4f04
Source of Spectrum ACI-53-SMS58-3o
Wiley ID 1781899