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CT-3 monoacetate

View entire compound with spectra: 1 MS (GC)

CT-3 monoacetate
SpectraBase Compound ID 53WcbYpqNJw
InChI InChI=1S/C15H14O5/c1-7-5-9(17)13-12(6-7)20-11-4-3-10(19-8(2)16)14(11)15(13)18/h5-6,10,17H,3-4H2,1-2H3/t10-/m1/s1
InChIKey IVIDGPFKEBNPTG-SNVBAGLBSA-N
Mol Weight 274.27 g/mol
Molecular Formula C15H14O5
Exact Mass 274.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Tkjp67pPU
Name CT-3 monoacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O5
InChI InChI=1S/C15H14O5/c1-7-5-9(17)13-12(6-7)20-11-4-3-10(19-8(2)16)14(11)15(13)18/h5-6,10,17H,3-4H2,1-2H3/t10-/m1/s1
InChIKey IVIDGPFKEBNPTG-SNVBAGLBSA-N
Molecular Weight 274.272 g/mol
SMILES Oc1c2C(C3=C(Oc2cc(C)c1)CC[C@]3(OC(=O)C)[H])=O
SPLASH splash10-0h3r-0090000000-6d5bd8df2df75799ba7d
Source of Spectrum E1-44-1092-4
Synonyms Acetic acid [(1R)-8-hydroxy-6-methyl-9-oxo-2,3-dihydro-1H-cyclopenta[b][1]benzopyran-1-yl] ester [(1R)-8-hydroxy-6-methyl-9-oxo-2,3-dihydro-1H-cyclopenta[b]chromen-1-yl] acetate [(1R)-6-methyl-8-oxidanyl-9-oxidanylidene-2,3-dihydro-1H-cyclopenta[b]chromen-1-yl] ethanoate
Wiley ID 1553419