3-{[(6R)-6-Hydroxy-1,4-oxazepan-4-yl]methyl}benzonitrile

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Systematic / IUPAC Name:

ID: Reference13029

Other Names: NAT47-553649

Formula: C13H16N2O2

Spectral Data

3-{[(6R)-6-Hydroxy-1,4-oxazepan-4-yl]methyl}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 908
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/23/2024 1:23:42 PM
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Identificators

InChI InChI=1S/C13H16N2O2/c14-7-11-2-1-3-12(6-11)8-15-4-5-17-10-13(16)9-15/h1-3,6,13,16H,4-5,8-10H2/t13-/m1/s1
InChI Key SMZVFSXGDCQZLT-CYBMUJFWSA-N
Canonical SMILES C1COCC(CN1CC2=CC(=CC=C2)C#N)O
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Other Names NAT47-553649

In Other Databases

ChemSpider 29855630
PubChem 75367755