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3-Chloro-1-([(1-phenylethyl)amino]carbonyl)cyclobutanecarboxylic acid
SpectraBase Compound ID D9DzS27xrRE
InChI InChI=1S/C14H16ClNO3/c1-9(10-5-3-2-4-6-10)16-12(17)14(13(18)19)7-11(15)8-14/h2-6,9,11H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKey ITROJTSJVKPPMF-UHFFFAOYSA-N
Mol Weight 281.74 g/mol
Molecular Formula C14H16ClNO3
Exact Mass 281.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3X2Xzga1K4
Name 3-Chloro-1-([(1-phenylethyl)amino]carbonyl)cyclobutanecarboxylic acid
CAS Registry Number 85318-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16ClNO3
InChI InChI=1S/C14H16ClNO3/c1-9(10-5-3-2-4-6-10)16-12(17)14(13(18)19)7-11(15)8-14/h2-6,9,11H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKey ITROJTSJVKPPMF-UHFFFAOYSA-N
Molecular Weight 281.739 g/mol
SMILES N(C(C)c1ccccc1)C(C1(C(O)=O)CC(C1)Cl)=O
SPLASH splash10-0ab9-6930000000-30c8c87cb3113f24e871
Source of Spectrum W5-1989-34985-30551
Synonyms 3-Chloranyl-1-(1-phenylethylcarbamoyl)cyclobutane-1-carboxylic acid 3-Chloro-1-(1-phenylethylcarbamoyl)cyclobutane-1-carboxylic acid 3-Chloro-1-(1-phenylethylcarbamoyl)cyclobutanecarboxylic acid 3-Chloro-1-[oxo-(1-phenylethylamino)methyl]-1-cyclobutanecarboxylic acid
Wiley ID 1284752