(4aR,7aR)-6-(1,3-Benzodioxol-5-ylmethyl)-4-(2-methoxyethyl)hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one

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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

Spectral Data

(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.

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Available MS Data

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
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Identificators

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

In Other Databases

ChemSpider 58716465
PubChem 97402668