[(1S,4S,5S)-4-({[(3-Fluorophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]acetic acid
13128
Reference
[(1S,4S,5S)-4-({[(3-Fluorophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]acetic acid Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[[(3-Fluorophenyl)sulfonylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetic acid
ID: Reference13128
Other Names: NAT28-409019
Formula: C19H26FNO4S
Spectral Data
[(1S,4S,5S)-4-({[(3-Fluorophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]acetic acid 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 | 2240 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/3/2024 12:04:04 PM |
Identificators
| InChI | InChI=1S/C19H26FNO4S/c1-12(2)18-8-14(9-19(22)23)13(3)7-15(18)11-21-26(24,25)17-6-4-5-16(20)10-17/h4-7,10,12,14-15,18,21H,8-9,11H2,1-3H3,(H,22,23)/t14-,15-,18-/m0/s1 |
| InChI Key | NPMVUALGCXVVIK-MPGHIAIKSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)O)C(C)C)CNS(=O)(=O)C2=CC=CC(=C2)F |
| CAS | |
| Splash | |
| Other Names | NAT28-409019 |