4-[(1-Ethynylcyclohexyl)amino]-4-oxobut-2-enoic acid

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Systematic / IUPAC Name: (2E)-4-[(1-Ethynylcyclohexyl)amino]-4-oxo-2-butenoic acid

ID: Reference5587

Other Names: (E)-4-[(1-Ethynylcyclohexyl)amino]-4-oxobut-2-enoic acid;
2-Butenoic acid, 4-[(1-ethynylcyclohexyl)amino]-4-oxo-, (2E)-

Formula: C12H15NO3

Spectral Data

4-[(1-Ethynylcyclohexyl)amino]-4-oxobut-2-enoic 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 216
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/12/2016 1:30:29 PM
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Identificators

InChI InChI=1S/C12H15NO3/c1-2-12(8-4-3-5-9-12)13-10(14)6-7-11(15)16/h1,6-7H,3-5,8-9H2,(H,13,14)(H,15,16)/b7-6+
InChI Key CWRBXSRDUSNQMM-VOTSOKGWSA-N
Canonical SMILES C#CC1(CCCCC1)NC(=O)C=CC(=O)O
CAS
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Other Names (E)-4-[(1-Ethynylcyclohexyl)amino]-4-oxobut-2-enoic acid;
2-Butenoic acid, 4-[(1-ethynylcyclohexyl)amino]-4-oxo-, (2E)-

In Other Databases

PubChem 5713419
ChemSpider 4651157