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Systematic / IUPAC Name: 12-[(Adamantan-1-ylcarbamoyl)amino]dodecanoic acid

ID: Reference6702

Other Names: 12-{[(Adamantan-1-yl)carbamoyl]amino}dodecanoic acid ;
Dodecanoic acid, 12-{[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino}-

Formula: C23H40N2O3

Spectral Data

AUDA 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 2
No. of Spectra 3287
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/9/2017 12:32:58 PM
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Identificators

InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
InChI Key XLGSEOAVLVTJDH-UHFFFAOYSA-N
Canonical SMILES C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)O
CAS 479413702
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Other Names 12-{[(Adamantan-1-yl)carbamoyl]amino}dodecanoic acid ;
Dodecanoic acid, 12-{[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino}-

In Other Databases

PubChem 10069117
ChEMBL CHEMBL215387
ChemSpider 8244657