XLR12

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Systematic / IUPAC Name: (2,2,3,3-Tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1H-indol-3-yl]methanone

ID: Reference5428

Other Names: Methanone, (2,2,3,3-tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1H-indol-3-yl]-

Formula: C20H24F3NO

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

XLR12 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/4/2016 11:41:45 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H24F3NO/c1-18(2)17(19(18,3)4)16(25)14-12-24(11-7-10-20(21,22)23)15-9-6-5-8-13(14)15/h5-6,8-9,12,17H,7,10-11H2,1-4H3
InChI Key PEXYKZYTXIEEOB-UHFFFAOYSA-N
Canonical SMILES CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCC(F)(F)F)C
CAS 895155789
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Other Names Methanone, (2,2,3,3-tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1H-indol-3-yl]-

In Other Databases

Wikipedia XLR-12
PubChem 11559386
ChEMBL CHEMBL569082
ChemSpider 9734160