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2-(Isobutylamino)benzoic acid
SpectraBase Compound ID JF8tAcYqvSZ
InChI InChI=1S/C11H15NO2/c1-8(2)7-12-10-6-4-3-5-9(10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKey AUXAEDNEZJCEJL-UHFFFAOYSA-N
Mol Weight 193.25 g/mol
Molecular Formula C11H15NO2
Exact Mass 193.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4J6jckbnBT
Name 2-(Isobutylamino)benzoic acid
CAS Registry Number 169527-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO2
InChI InChI=1S/C11H15NO2/c1-8(2)7-12-10-6-4-3-5-9(10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKey AUXAEDNEZJCEJL-UHFFFAOYSA-N
Molecular Weight 193.246 g/mol
SMILES N(c1c(C(O)=O)cccc1)CC(C)C
SPLASH splash10-001i-4900000000-82a49e5ef38df0c1543c
Source of Spectrum AD-0-2532-0
Synonyms 2-(2-Methylpropylamino)benzoic acid Benzoic acid, 2-isobutylamino-
Wiley ID 1419910