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(1R,2S,3R)-(+)-1,2,3-Triacetoxy-2,3-dihydro-4-phenylphenalene

View entire compound with spectra: 1 MS (GC)

(1R,2S,3R)-(+)-1,2,3-Triacetoxy-2,3-dihydro-4-phenylphenalene
SpectraBase Compound ID E2v1Fo7MJBE
InChI InChI=1S/C25H22O6/c1-14(26)29-23-20-11-7-10-18-12-13-19(17-8-5-4-6-9-17)22(21(18)20)24(30-15(2)27)25(23)31-16(3)28/h4-13,23-25H,1-3H3/t23-,24-,25+/m1/s1
InChIKey WTUQNJZRRSVCBW-SDHSZQHLSA-N
Mol Weight 418.45 g/mol
Molecular Formula C25H22O6
Exact Mass 418.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ftj9uCRAfN
Name (1R,2S,3R)-(+)-1,2,3-Triacetoxy-2,3-dihydro-4-phenylphenalene
Alternate Name(s) (1R,2S,3R)-1,3-bis(acetyloxy)-4-phenyl-2,3-dihydro-1H-phenalen-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O6
InChI InChI=1S/C25H22O6/c1-14(26)29-23-20-11-7-10-18-12-13-19(17-8-5-4-6-9-17)22(21(18)20)24(30-15(2)27)25(23)31-16(3)28/h4-13,23-25H,1-3H3/t23-,24-,25+/m1/s1
InChIKey WTUQNJZRRSVCBW-SDHSZQHLSA-N
Molecular Weight 418.445 g/mol
SMILES [C@]1([C@@]([C@@](c2c(ccc3cccc1c23)-c1ccccc1)(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0a4i-0092000000-86ad650c9eb56361fcae
Source of Spectrum KC-57-7656-19
Wiley ID 1625579