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Systematic / IUPAC Name: 12-[(Cyclohexylcarbamoyl)amino]dodecanoic acid

ID: Reference6691

Other Names: Dodecanoic acid, 12-{[(cyclohexylamino)carbonyl]amino}-

Formula: C19H36N2O3

Spectral Data

CUDA 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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 3
No. of Spectra 3367
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/8/2017 9:16:25 AM
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Identificators

InChI InChI=1S/C19H36N2O3/c22-18(23)15-11-6-4-2-1-3-5-7-12-16-20-19(24)21-17-13-9-8-10-14-17/h17H,1-16H2,(H,22,23)(H2,20,21,24)
InChI Key HPTJABJPZMULFH-UHFFFAOYSA-N
Canonical SMILES C1CCC(CC1)NC(=O)NCCCCCCCCCCCC(=O)O
CAS 479413688
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Other Names Dodecanoic acid, 12-{[(cyclohexylamino)carbonyl]amino}-

In Other Databases

ChEMBL CHEMBL3661356
PubChem 22978774
ChemSpider 19187192