1-[(6R)-6-(4-Methoxyphenoxy)-1,4-oxazepan-4-yl]-3,3-dimethyl-1-butanone

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Systematic / IUPAC Name: 1-[(6R)-6-(4-Methoxyphenoxy)-1,4-oxazepan-4-yl]-3,3-dimethylbutan-1-one

ID: Reference12813

Other Names: NAT47-553547

Formula: C18H27NO4

Spectral Data

1-[(6R)-6-(4-Methoxyphenoxy)-1,4-oxazepan-4-yl]-3,3-dimethyl-1-butanone 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 964
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/9/2023 11:15:06 AM
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Identificators

InChI InChI=1S/C18H27NO4/c1-18(2,3)11-17(20)19-9-10-22-13-16(12-19)23-15-7-5-14(21-4)6-8-15/h5-8,16H,9-13H2,1-4H3/t16-/m1/s1
InChI Key FSTGLSIJKRGCAL-MRXNPFEDSA-N
Canonical SMILES CC(C)(C)CC(=O)N1CCOCC(C1)OC2=CC=C(C=C2)OC
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Other Names NAT47-553547

In Other Databases

ChemSpider 29855600
PubChem 75367741