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tert-Butyl rel(1R,2aR,8S)/rel(1R,2aS,8R)-1,8b-Dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate
SpectraBase Compound ID HUhc7lknlOI
InChI InChI=1S/C21H28O6/c1-11(2)13-10-21(19(23)27-20(3,4)5)17(13)16-14(25-7)8-12(24-6)9-15(16)26-18(21)22/h8-9,11,13,17H,10H2,1-7H3/t13?,17-,21+/m0/s1
InChIKey BHJQYOLQTJAFGW-PTPQSVRFSA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Glx3GdxQhiY
Name tert-Butyl rel(1R,2aR,8S)/rel(1R,2aS,8R)-1,8b-Dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate
Alternate Name(s) tert-Butyl (2aS,8bS)-1-isopropyl-6,8-dimethoxy-3-oxo-1,8b-dihydro-2H-cyclobuta[c]chromene-2a(3H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O6
InChI InChI=1S/C21H28O6/c1-11(2)13-10-21(19(23)27-20(3,4)5)17(13)16-14(25-7)8-12(24-6)9-15(16)26-18(21)22/h8-9,11,13,17H,10H2,1-7H3/t13?,17-,21+/m0/s1
InChIKey BHJQYOLQTJAFGW-PTPQSVRFSA-N
Molecular Weight 376.449 g/mol
SMILES [C@@]12(C(Oc3c([C@]2([H])C(C1)C(C)C)c(cc(OC)c3)OC)=O)C(OC(C)(C)C)=O
SPLASH splash10-0zfr-0092000000-39f0c83a8ea4ca81e424
Source of Spectrum O1-65-1105-5
Wiley ID 1593086