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valine, N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylbenzoyl)-
SpectraBase Compound ID KxGZiJ2CjGG
InChI InChI=1S/C22H29NO3/c1-13(2)19(21(25)26)23-20(24)17-3-5-18(6-4-17)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16,19H,7-12H2,1-2H3,(H,23,24)(H,25,26)/t14-,15+,16-,19?,22-
InChIKey PRKZFRQGWUQYOG-OVAGRXEJSA-N
Mol Weight 355.48 g/mol
Molecular Formula C22H29NO3
Exact Mass 355.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wnIhKb3hFq
Name 2-[[4-(1-adamantyl)benzoyl]amino]-3-methyl-butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO3
InChI InChI=1S/C22H29NO3/c1-13(2)19(21(25)26)23-20(24)17-3-5-18(6-4-17)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16,19H,7-12H2,1-2H3,(H,23,24)(H,25,26)/t14-,15+,16-,19?,22-
InChIKey PRKZFRQGWUQYOG-OVAGRXEJSA-N
Molecular Weight 355.478 g/mol
SMILES N(C(c1ccc(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])cc1)=O)C(C(=O)O)C(C)C
SPLASH splash10-052r-1392000000-b0770877cc5856231a9f
Synonyms 2-[[4-(1-adamantyl)benzoyl]amino]-3-methyl-butyric acid 2-[[4-(1-adamantyl)phenyl]carbonylamino]-3-methyl-butanoic acid 2-[[[4-(1-adamantyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid N-[4-(1-adamantyl)benzoyl]valine
Wiley ID 1450831