(6R)-4-(4-Methoxybenzyl)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepane

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Systematic / IUPAC Name: (6R)-4-[(4-Methoxyphenyl)methyl]-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepane

ID: Reference12561

Other Names: NAT47-548884

Formula: C20H22F3NO3

Spectral Data

(6R)-4-(4-Methoxybenzyl)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepane 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 294
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2023 10:36:24 AM
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Identificators

InChI InChI=1S/C20H22F3NO3/c1-25-17-6-2-15(3-7-17)12-24-10-11-26-14-19(13-24)27-18-8-4-16(5-9-18)20(21,22)23/h2-9,19H,10-14H2,1H3/t19-/m1/s1
InChI Key JUNGZYSBVRRGSH-LJQANCHMSA-N
Canonical SMILES COC1=CC=C(C=C1)CN2CCOCC(C2)OC3=CC=C(C=C3)C(F)(F)F
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Other Names NAT47-548884

In Other Databases

ChemSpider 29855378
PubChem 75367657