Systematic / IUPAC Name: (4aR,7aR)-6-(1,3-Benzodioxol-5-ylmethyl)-4-(2-methoxyethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
ID: Reference9675
Other Names:
Pyrrolo[3,4-b]-1,4-oxazin-3(2H)-one, 6-(1,3-benzodioxol-5-ylmethyl)hexahydro-4-(2-methoxyethyl)-, (4aR,7aR)-;
NAT37-484430
Formula: C17H22N2O5
(4aR,7aR)-6-(1,3-Benzodioxol-5-ylmethyl)-4-(2-methoxyethyl)hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 295 |
Tandem Spectra | MS1, MS2, MS3 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 5/11/2020 11:32:00 AM |
InChI | InChI=1S/C17H22N2O5/c1-21-5-4-19-13-8-18(9-16(13)22-10-17(19)20)7-12-2-3-14-15(6-12)24-11-23-14/h2-3,6,13,16H,4-5,7-11H2,1H3/t13-,16-/m1/s1 |
InChI Key | MMNQAELAWQYJQZ-CZUORRHYSA-N |
Canonical SMILES | COCCN1C2CN(CC2OCC1=O)CC3=CC4=C(C=C3)OCO4 |
CAS | |
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Other Names |
Pyrrolo[3,4-b]-1,4-oxazin-3(2H)-one, 6-(1,3-benzodioxol-5-ylmethyl)hexahydro-4-(2-methoxyethyl)-, (4aR,7aR)-; NAT37-484430 |