4-({(6R)-6-[4-(Trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl}carbonyl)benzonitrile

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Systematic / IUPAC Name: 4-[(6R)-6-[4-(Trifluoromethyl)phenoxy]-1,4-oxazepane-4-carbonyl]benzonitrile

ID: Reference12909

Other Names: NAT47-548931

Formula: C20H17F3N2O3

Spectral Data

4-({(6R)-6-[4-(Trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl}carbonyl)benzonitrile 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 1
No. of Spectra 1499
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/12/2023 1:30:04 PM
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Identificators

InChI InChI=1S/C20H17F3N2O3/c21-20(22,23)16-5-7-17(8-6-16)28-18-12-25(9-10-27-13-18)19(26)15-3-1-14(11-24)2-4-15/h1-8,18H,9-10,12-13H2/t18-/m1/s1
InChI Key PVVRCKPRVFFFHG-GOSISDBHSA-N
Canonical SMILES C1COCC(CN1C(=O)C2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)C(F)(F)F
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Other Names NAT47-548931

In Other Databases

PubChem 75536873
ChemSpider 29855400