[(1S,4S,6S)-6-Isopropyl-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methanol
12209
Reference
[(1S,4S,6S)-6-Isopropyl-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methanol Structure
Systematic / IUPAC Name: [(1S,4S,6S)-4-[[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methanol
ID: Reference12209
Other Names: NAT28-416259
Formula: C21H28N2O3
Spectral Data
[(1S,4S,6S)-6-Isopropyl-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methanol 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 | 850 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/3/2023 8:58:44 AM |
Identificators
| InChI | InChI=1S/C21H28N2O3/c1-13(2)19-10-16(14(3)9-17(19)12-24)11-20-22-23-21(26-20)15-5-7-18(25-4)8-6-15/h5-9,13,16-17,19,24H,10-12H2,1-4H3/t16-,17-,19-/m0/s1 |
| InChI Key | XQJHZSOKBXQFEE-LNLFQRSKSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)OC)C(C)C)CO |
| CAS | |
| Splash | |
| Other Names | NAT28-416259 |