2-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-(1-pyrrolidinylmethyl)-2-cyclohexen-1-yl]methyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole
12102
Reference
2-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-(1-pyrrolidinylmethyl)-2-cyclohexen-1-yl]methyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole Structure
Systematic / IUPAC Name: 2-[[(1S,4S,5S)-2-Methyl-5-propan-2-yl-4-(pyrrolidin-1-ylmethyl)cyclohex-2-en-1-yl]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
ID: Reference12102
Other Names: NAT28-412960
Formula: C24H32N4O3
Spectral Data
2-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-(1-pyrrolidinylmethyl)-2-cyclohexen-1-yl]methyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole 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 | 1604 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/12/2023 8:20:09 AM |
Identificators
| InChI | InChI=1S/C24H32N4O3/c1-16(2)22-13-19(17(3)12-20(22)15-27-10-4-5-11-27)14-23-25-26-24(31-23)18-6-8-21(9-7-18)28(29)30/h6-9,12,16,19-20,22H,4-5,10-11,13-15H2,1-3H3/t19-,20-,22-/m0/s1 |
| InChI Key | DQJXTJPEMBLODS-ONTIZHBOSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C)CN4CCCC4 |
| CAS | |
| Splash | |
| Other Names | NAT28-412960 |