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trans-1-Adamantyl-1-(4-chlorophenyl)-1,2-dihydronaphtho[2,1-b]furan-2-ylmethanone
SpectraBase Compound ID 1wMvhCaCfDQ
InChI InChI=1S/C29H27ClO2/c30-22-8-5-21(6-9-22)25-26-23-4-2-1-3-20(23)7-10-24(26)32-27(25)28(31)29-14-17-11-18(15-29)13-19(12-17)16-29/h1-10,17-19,25,27H,11-16H2/t17-,18?,19?,25-,27-,29?/m0/s1
InChIKey IBDUOGDNLAYHQN-HLPIIRETSA-N
Mol Weight 442.99 g/mol
Molecular Formula C29H27ClO2
Exact Mass 442.169958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZsOZ9eOB6
Name trans-1-Adamantyl-1-(4-chlorophenyl)-1,2-dihydronaphtho[2,1-b]furan-2-ylmethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27ClO2
InChI InChI=1S/C29H27ClO2/c30-22-8-5-21(6-9-22)25-26-23-4-2-1-3-20(23)7-10-24(26)32-27(25)28(31)29-14-17-11-18(15-29)13-19(12-17)16-29/h1-10,17-19,25,27H,11-16H2/t17-,18?,19?,25-,27-,29?/m0/s1
InChIKey IBDUOGDNLAYHQN-HLPIIRETSA-N
Literature Reference DOI 10.1021/jo400621r
Molecular Weight 442.986 g/mol
SMILES C1C2(CC3CC1CC(C3)C2)C([C@]1(Oc2ccc3ccccc3c2[C@@]1(c1ccc(cc1)Cl)[H])[H])=O
SPLASH splash10-066r-3698000000-1fcea83568b787d5012d
Source of Spectrum J-78-5514-3q
Synonyms (3R,5R)-adamantan-1-yl((1S,2S)-1-(4-chlorophenyl)-1,2-dihydronaphtho[2,1-b]furan-2-yl)methanone 1-Adamantyl-[(1S,2S)-1-(4-chlorophenyl)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methanone
Wiley ID 1745491