(1S,2S,3S,4R,5R)-4-(Diethylamino)-2-[(4-methoxybenzyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
12055
Reference
(1S,2S,3S,4R,5R)-4-(Diethylamino)-2-[(4-methoxybenzyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol Structure
Systematic / IUPAC Name: (1S,2S,3S,4R,5R)-4-(Diethylamino)-2-[(4-methoxyphenyl)methylamino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
ID: Reference12055
Other Names: NAT17-347039
Formula: C18H28N2O4
Spectral Data
(1S,2S,3S,4R,5R)-4-(Diethylamino)-2-[(4-methoxybenzyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol 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 | 583 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/13/2022 11:23:54 AM |
Identificators
| InChI | InChI=1S/C18H28N2O4/c1-4-20(5-2)16-17(21)15(14-11-23-18(16)24-14)19-10-12-6-8-13(22-3)9-7-12/h6-9,14-19,21H,4-5,10-11H2,1-3H3/t14-,15-,16-,17+,18-/m1/s1 |
| InChI Key | AWGVZAALCGUFAS-HSFUPAIVSA-N |
| Canonical SMILES | CCN(CC)C1C(C(C2COC1O2)NCC3=CC=C(C=C3)OC)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347039 |