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(1R,3S)-1,2,2-trimethyl-3-[(phenylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SpectraBase Compound ID C1TwZhlIImj
InChI InChI=1S/C17H23NO3/c1-16(2)13(9-10-17(16,3)15(20)21)14(19)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,19)(H,20,21)/t13-,17+/m1/s1
InChIKey JLAQFPUXVWQINN-DYVFJYSZSA-N
Mol Weight 289.37 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 649gUJCU06Y
Name (1R,3S)-1,2,2-trimethyl-3-[(phenylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
Alternate Name(s) (1R,3S)-1,2,2-trimethyl-3-[oxo-[(phenylmethyl)amino]methyl]-1-cyclopentanecarboxylic acid (1R,3S)-3-(benzylcarbamoyl)-1,2,2-trimethyl-cyclopentanecarboxylic acid (1R,3S)-3-(benzylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CAS Registry Number 78808-22-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-16(2)13(9-10-17(16,3)15(20)21)14(19)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,19)(H,20,21)/t13-,17+/m1/s1
InChIKey JLAQFPUXVWQINN-DYVFJYSZSA-N
Molecular Weight 289.375 g/mol
SMILES N(C([C@@]1(C([C@](C(=O)O)(CC1)C)(C)C)[H])=O)Cc1ccccc1
SPLASH splash10-0006-9210000000-cc812459ea8b0baeb25b
Source of Spectrum B-34-668-0
Wiley ID 1292754