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(2R*,3S*)-2,3,8-Trimethyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID CUiAzS8OmKh
InChI InChI=1S/C15H16O2/c1-8-4-5-13-11(6-8)14-12(7-17-13)9(2)10(3)15(14)16/h4-6,9-10H,7H2,1-3H3/t9-,10+/m0/s1
InChIKey CXIMRJSQEOWLBP-VHSXEESVSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4c8Notp9Ie
Name (2R*,3S*)-2,3,8-Trimethyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Colorless solid
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Exact Mass 228.115029753 u
Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-8-4-5-13-11(6-8)14-12(7-17-13)9(2)10(3)15(14)16/h4-6,9-10H,7H2,1-3H3/t9-,10+/m0/s1
InChIKey CXIMRJSQEOWLBP-VHSXEESVSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 228.291 g/mol
Quality 36
Reported Formula C15H16O2
SMILES C12=C(C3=C(CO2)[C@]([C@](C3=O)(C)[H])(C)[H])C=C(C=C1)C
SPLASH splash10-00bc-0960000000-23945324526dab5302cd
Source of Spectrum ACI-61-SM28-cis-2alpha (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.41 (hexane/EtOAc, 5:1)
Wiley ID 1897940