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Ethyl 3-(4-(ethoxycarbonyl)phenyl)adamantane-1-carboxylate
SpectraBase Compound ID 9EH3iBaRNRK
InChI InChI=1S/C22H28O4/c1-3-25-19(23)17-5-7-18(8-6-17)21-10-15-9-16(11-21)13-22(12-15,14-21)20(24)26-4-2/h5-8,15-16H,3-4,9-14H2,1-2H3/t15-,16+,21+,22-
InChIKey ZQRWUAPHGMIORW-WGKKAQPQSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWgA9bTcP9S
Name Ethyl 3-(4-(ethoxycarbonyl)phenyl)adamantane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-3-25-19(23)17-5-7-18(8-6-17)21-10-15-9-16(11-21)13-22(12-15,14-21)20(24)26-4-2/h5-8,15-16H,3-4,9-14H2,1-2H3/t15-,16+,21+,22-
InChIKey ZQRWUAPHGMIORW-WGKKAQPQSA-N
Literature Reference DOI 10.1021/ol500781j
Molecular Weight 356.462 g/mol
SMILES C1[C@@]2(C[C@]3(C[C@]1(C[C@](C(OCC)=O)(C3)C2)[H])c1ccc(cc1)C(=O)OCC)[H]
SPLASH splash10-001i-1194000000-cce32e2e43ff93f4c6bc
Source of Spectrum A1-16-2418/SMS21-5b
Synonyms (1s,3r,5R,7S)-ethyl 3-(4-(ethoxycarbonyl)phenyl)adamantane-1-carboxylate
Wiley ID 1749435