N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-2-propyn-1-amine
9622
Reference
N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-2-propyn-1-amine Structure
Systematic / IUPAC Name: N-[[(1S,4S,6S)-3-Methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]prop-2-yn-1-amine
ID: Reference9622
Other Names:
2-Cyclohexene-1-methanamine, 3-methyl-6-(1-methylethyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-2-propyn-1-yl-, (1S,4S,6S)-;
NAT28-410493
Formula: C23H29N3O
Spectral Data
N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-2-propyn-1-amine 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 | 1145 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/24/2020 5:41:17 AM |
Identificators
| InChI | InChI=1S/C23H29N3O/c1-5-11-24-15-20-12-17(4)19(13-21(20)16(2)3)14-22-25-26-23(27-22)18-9-7-6-8-10-18/h1,6-10,12,16,19-21,24H,11,13-15H2,2-4H3/t19-,20-,21-/m0/s1 |
| InChI Key | WYWXEXOYHJHNAA-ACRUOGEOSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=CC=C3)C(C)C)CNCC#C |
| CAS | |
| Splash | |
| Other Names |
2-Cyclohexene-1-methanamine, 3-methyl-6-(1-methylethyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-2-propyn-1-yl-, (1S,4S,6S)-; NAT28-410493 |