4-[(1-Cyclopropylethyl)anilino]-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-[(1-Cyclopropylethyl)(phenyl)amino]-4-oxobutanoic acid

ID: Reference5030

Other Names: 3-[(1-Cyclopropylethyl)(phenyl)carbamoyl]propanoic acid;
Butanoic acid, 4-[(1-cyclopropylethyl)phenylamino]-4-oxo-

Formula: C15H19NO3

Spectral Data

4-[(1-Cyclopropylethyl)anilino]-4-oxobutanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 221
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/22/2016 11:31:28 AM
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Identificators

InChI InChI=1S/C15H19NO3/c1-11(12-7-8-12)16(13-5-3-2-4-6-13)14(17)9-10-15(18)19/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChI Key DBYMVBACMWMSRD-UHFFFAOYSA-N
Canonical SMILES CC(C1CC1)N(C2=CC=CC=C2)C(=O)CCC(=O)O
CAS
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Other Names 3-[(1-Cyclopropylethyl)(phenyl)carbamoyl]propanoic acid;
Butanoic acid, 4-[(1-cyclopropylethyl)phenylamino]-4-oxo-

In Other Databases

ChemSpider 2081185
PubChem 2802508