1-[(1S,4S,6S)-4-(1H-Benzimidazol-2-ylmethyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methanamine
11871
Reference
1-[(1S,4S,6S)-4-(1H-Benzimidazol-2-ylmethyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methanamine Structure
Systematic / IUPAC Name: [(1S,4S,6S)-4-(1H-Benzimidazol-2-ylmethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methanamine
ID: Reference11871
Other Names: NAT28-538045
Formula: C19H27N3
Spectral Data
1-[(1S,4S,6S)-4-(1H-Benzimidazol-2-ylmethyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methanamine 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 | 740 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/17/2022 10:54:54 AM |
Identificators
| InChI | InChI=1S/C19H27N3/c1-12(2)16-9-14(13(3)8-15(16)11-20)10-19-21-17-6-4-5-7-18(17)22-19/h4-8,12,14-16H,9-11,20H2,1-3H3,(H,21,22)/t14-,15-,16-/m0/s1 |
| InChI Key | CABHCRDFMNBKDD-JYJNAYRXSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NC3=CC=CC=C3N2)C(C)C)CN |
| CAS | |
| Splash | |
| Other Names | NAT28-538045 |