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1-Adamantyl(5,7-di-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-methanone
SpectraBase Compound ID CVXF30lYJrj
InChI InChI=1S/C27H38O2/c1-25(2,3)20-10-19-11-22(29-23(19)21(12-20)26(4,5)6)24(28)27-13-16-7-17(14-27)9-18(8-16)15-27/h10,12,16-18,22H,7-9,11,13-15H2,1-6H3
InChIKey HHLFHBNLQRCWST-UHFFFAOYSA-N
Mol Weight 394.6 g/mol
Molecular Formula C27H38O2
Exact Mass 394.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1k1vJh90W3h
Name 1-Adamantyl(5,7-di-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-methanone
Alternate Name(s) (1s,3s)-adamantan-1-yl(5,7-di-tert-butyl-2,3-dihydrobenzofuran-2-yl)methanone 1-Adamantyl-(5,7-ditert-butyl-2,3-dihydrobenzofuran-2-yl)methanone 1-Adamantyl-(5,7-ditert-butyl-2,3-dihydro-1-benzofuran-2-yl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O2
InChI InChI=1S/C27H38O2/c1-25(2,3)20-10-19-11-22(29-23(19)21(12-20)26(4,5)6)24(28)27-13-16-7-17(14-27)9-18(8-16)15-27/h10,12,16-18,22H,7-9,11,13-15H2,1-6H3
InChIKey HHLFHBNLQRCWST-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo400621r
Molecular Weight 394.599 g/mol
SMILES C1C2CC3CC1CC(C3)(C2)C(C1Oc2c(cc(cc2C1)C(C)(C)C)C(C)(C)C)=O
SPLASH splash10-0api-1192000000-b589a5bb870cb067f99e
Source of Spectrum J-78-5517-13a
Wiley ID 1745479