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(-)-(1'R,2'S)-2-Phenyl-1-cyclohexyl 1,4-dioxonaphthalene-2-carboxylate
SpectraBase Compound ID IOccYezr0CW
InChI InChI=1S/C23H20O4/c24-20-14-19(22(25)18-12-5-4-11-17(18)20)23(26)27-21-13-7-6-10-16(21)15-8-2-1-3-9-15/h1-5,8-9,11-12,14,16,21H,6-7,10,13H2/t16-,21+/m0/s1
InChIKey XNNYRTUDWWYPCC-HRAATJIYSA-N
Mol Weight 360.41 g/mol
Molecular Formula C23H20O4
Exact Mass 360.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19Xn8WGgzUK
Name (-)-(1'R,2'S)-2-Phenyl-1-cyclohexyl 1,4-dioxonaphthalene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O4
InChI InChI=1S/C23H20O4/c24-20-14-19(22(25)18-12-5-4-11-17(18)20)23(26)27-21-13-7-6-10-16(21)15-8-2-1-3-9-15/h1-5,8-9,11-12,14,16,21H,6-7,10,13H2/t16-,21+/m0/s1
InChIKey XNNYRTUDWWYPCC-HRAATJIYSA-N
Molecular Weight 360.409 g/mol
SMILES C=1(C(c2ccccc2C(C1)=O)=O)C(O[C@]1([C@](c2ccccc2)(CCCC1)[H])[H])=O
SPLASH splash10-0a5i-0910000000-a5962fdbcab6c6d41555
Source of Spectrum QC-9-1249-5
Synonyms (-)-1,4-Dioxo-1,4-dihydro-naphthalene-2-carboxylic acid (1R,2S)-2-phenyl-cyclohexyl ester
Wiley ID 870410