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trans-1-Adamantyl-1-(4-pyridyl)-1,2-dihydronaphtho[2,1-b]-furan-2-ylmethanone
SpectraBase Compound ID HO6vUTTw6WA
InChI InChI=1S/C28H27NO2/c30-27(28-14-17-11-18(15-28)13-19(12-17)16-28)26-24(21-7-9-29-10-8-21)25-22-4-2-1-3-20(22)5-6-23(25)31-26/h1-10,17-19,24,26H,11-16H2/t17-,18?,19?,24-,26-,28?/m0/s1
InChIKey JWNBOWIQAZUTKG-JHJZVWCCSA-N
Mol Weight 409.53 g/mol
Molecular Formula C28H27NO2
Exact Mass 409.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyfjtyApEqK
Name trans-1-Adamantyl-1-(4-pyridyl)-1,2-dihydronaphtho[2,1-b]-furan-2-ylmethanone
Alternate Name(s) (3R,5R)-adamantan-1-yl((1S,2S)-1-(pyridin-4-yl)-1,2-dihydronaphtho[2,1-b]furan-2-yl)methanone 1-Adamantyl-[(1S,2S)-1-pyridin-4-yl-1,2-dihydrobenzo[e]benzofuran-2-yl]methanone 1-Adamantyl-[(1S,2S)-1-pyridin-4-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methanone
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Formula C28H27NO2
InChI InChI=1S/C28H27NO2/c30-27(28-14-17-11-18(15-28)13-19(12-17)16-28)26-24(21-7-9-29-10-8-21)25-22-4-2-1-3-20(22)5-6-23(25)31-26/h1-10,17-19,24,26H,11-16H2/t17-,18?,19?,24-,26-,28?/m0/s1
InChIKey JWNBOWIQAZUTKG-JHJZVWCCSA-N
Literature Reference DOI 10.1021/jo400621r
Molecular Weight 409.529 g/mol
SMILES C1C2CC3CC1(CC(C2)C3)C([C@]1(Oc2ccc3ccccc3c2[C@@]1(c1ccncc1)[H])[H])=O
SPLASH splash10-01bi-4790000000-bc74666deebaa9339739
Source of Spectrum J-78-5515-3x
Wiley ID 1745494