2-[(1S,4S,5S)-4-(Acetamidomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(4-methoxybenzyl)acetamide
12698
Reference
2-[(1S,4S,5S)-4-(Acetamidomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(4-methoxybenzyl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-(Acetamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
ID: Reference12698
Other Names: NAT28-404372
Formula: C23H34N2O3
Spectral Data
2-[(1S,4S,5S)-4-(Acetamidomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(4-methoxybenzyl)acetamide 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 | 450 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/3/2023 12:01:10 PM |
Identificators
| InChI | InChI=1S/C23H34N2O3/c1-15(2)22-11-19(16(3)10-20(22)14-24-17(4)26)12-23(27)25-13-18-6-8-21(28-5)9-7-18/h6-10,15,19-20,22H,11-14H2,1-5H3,(H,24,26)(H,25,27)/t19-,20-,22-/m0/s1 |
| InChI Key | ZZKTWYFETDZOKZ-ONTIZHBOSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)OC)C(C)C)CNC(=O)C |
| CAS | |
| Splash | |
| Other Names | NAT28-404372 |