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4-(1-Adamantylamino)-4-oxobutanoic acid
SpectraBase Compound ID 4DfoZQo6dXU
InChI InChI=1S/C14H21NO3/c16-12(1-2-13(17)18)15-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H,15,16)(H,17,18)/t9-,10+,11-,14-
InChIKey PGAQEOVRNCJNAA-UAMPICCDSA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkURxKXT9Vz
Name 4-(1-Adamantylamino)-4-oxobutanoic acid
CAS Registry Number 52986-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c16-12(1-2-13(17)18)15-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H,15,16)(H,17,18)/t9-,10+,11-,14-
InChIKey PGAQEOVRNCJNAA-UAMPICCDSA-N
Molecular Weight 251.326 g/mol
SMILES OC(CCC(NC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O)=O
SPLASH splash10-0006-9410000000-721969113f72295d3dc3
Source of Spectrum AD-0-2532-0
Synonyms 4-(1-adamantylamino)-4-keto-butyric acid 4-(1-adamantylamino)-4-oxidanylidene-butanoic acid Butanoic acid, 4-(1-adamantylamino)-4-oxo-
Wiley ID 1432174