(1,3-Dimethyl-1H-pyrazol-5-yl)[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
12670
Reference
(1,3-Dimethyl-1H-pyrazol-5-yl)[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone Structure
Systematic / IUPAC Name: (2,5-Dimethylpyrazol-3-yl)-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
ID: Reference12670
Other Names: NAT47-553582
Formula: C18H23N3O4
Spectral Data
(1,3-Dimethyl-1H-pyrazol-5-yl)[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone 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 | 1468 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/24/2023 4:30:49 PM |
Identificators
| InChI | InChI=1S/C18H23N3O4/c1-13-10-17(20(2)19-13)18(22)21-8-9-24-12-16(11-21)25-15-6-4-14(23-3)5-7-15/h4-7,10,16H,8-9,11-12H2,1-3H3/t16-/m1/s1 |
| InChI Key | NIJFFIWKDKUKAR-MRXNPFEDSA-N |
| Canonical SMILES | CC1=NN(C(=C1)C(=O)N2CCOCC(C2)OC3=CC=C(C=C3)OC)C |
| CAS | |
| Splash | |
| Other Names | NAT47-553582 |