Ethyl [(1S,4S,5S)-4-{[(cyclopropylcarbonyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]acetate
12156
Reference
Ethyl [(1S,4S,5S)-4-{[(cyclopropylcarbonyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]acetate Structure
Systematic / IUPAC Name: Ethyl 2-[(1S,4S,5S)-4-[(cyclopropanecarbonylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetate
ID: Reference12156
Other Names: NAT28-409146
Formula: C19H31NO3
Spectral Data
Ethyl [(1S,4S,5S)-4-{[(cyclopropylcarbonyl)amino]methyl}-5-isopropyl-2-methyl-2-cyclohexen-1-yl]acetate 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 | 2404 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/20/2023 7:51:49 AM |
Identificators
| InChI | InChI=1S/C19H31NO3/c1-5-23-18(21)10-15-9-17(12(2)3)16(8-13(15)4)11-20-19(22)14-6-7-14/h8,12,14-17H,5-7,9-11H2,1-4H3,(H,20,22)/t15-,16-,17-/m0/s1 |
| InChI Key | CMWCIFMTHWUJQY-ULQDDVLXSA-N |
| Canonical SMILES | CCOC(=O)CC1CC(C(C=C1C)CNC(=O)C2CC2)C(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-409146 |