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3-(1-adamantylmethylcarbamoyl)-4-phenyl-pentanoic acid
SpectraBase Compound ID KLln33vG7zX
InChI InChI=1S/C23H31NO3/c1-15(19-5-3-2-4-6-19)20(10-21(25)26)22(27)24-14-23-11-16-7-17(12-23)9-18(8-16)13-23/h2-6,15-18,20H,7-14H2,1H3,(H,24,27)(H,25,26)
InChIKey JTMRLNZDPKUKND-UHFFFAOYSA-N
Mol Weight 369.51 g/mol
Molecular Formula C23H31NO3
Exact Mass 369.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B16Q4ljCR8K
Name 3-(1-adamantylmethylcarbamoyl)-4-phenyl-pentanoic acid
Alternate Name(s) 3-(1-adamantylmethylcarbamoyl)-4-phenyl-valeric acid 3-[(1-adamantylmethylamino)-oxomethyl]-4-phenylpentanoic acid Pentanoic acid, 3-[(adamantan-1-ylmethyl)carbamoyl]-4-phenyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO3
InChI InChI=1S/C23H31NO3/c1-15(19-5-3-2-4-6-19)20(10-21(25)26)22(27)24-14-23-11-16-7-17(12-23)9-18(8-16)13-23/h2-6,15-18,20H,7-14H2,1H3,(H,24,27)(H,25,26)
InChIKey JTMRLNZDPKUKND-UHFFFAOYSA-N
Molecular Weight 369.505 g/mol
SMILES N(C(C(CC(=O)O)C(c1ccccc1)C)=O)CC12CC3CC(C2)CC(C1)C3
SPLASH splash10-0a4r-9820000000-cdc49adc94387ddfdf7f
Wiley ID 1446521