4-{[(6R)-6-Methoxy-1,4-oxazepan-4-yl]carbonyl}benzonitrile
11418
Reference
4-{[(6R)-6-Methoxy-1,4-oxazepan-4-yl]carbonyl}benzonitrile Structure
Systematic / IUPAC Name: 4-[(6R)-6-Methoxy-1,4-oxazepane-4-carbonyl]benzonitrile
ID: Reference11418
Other Names: NAT47-552143
Formula: C14H16N2O3
Spectral Data
4-{[(6R)-6-Methoxy-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1070 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/26/2022 8:13:41 AM |
Identificators
| InChI | InChI=1S/C14H16N2O3/c1-18-13-9-16(6-7-19-10-13)14(17)12-4-2-11(8-15)3-5-12/h2-5,13H,6-7,9-10H2,1H3/t13-/m1/s1 |
| InChI Key | WKJUFZRGJLDRPB-CYBMUJFWSA-N |
| Canonical SMILES | COC1CN(CCOC1)C(=O)C2=CC=C(C=C2)C#N |
| CAS | |
| Splash | |
| Other Names | NAT47-552143 |
In Other Databases
| PubChem | 75536882 |
| ChemSpider | 29855445 |
| ChEMBL | CHEMBL3437527 |