(4aR,7aS)-6-Isobutyl-4-(4-pyridinylmethyl)hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one

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Systematic / IUPAC Name: (4aR,7aS)-6-(2-Methylpropyl)-4-(pyridin-4-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

ID: Reference9673

Other Names: Pyrrolo[3,4-b]-1,4-oxazin-3(2H)-one, hexahydro-6-(2-methylpropyl)-4-(4-pyridinylmethyl)-, (4aR,7aS)-;
NAT37-483369

Formula: C16H23N3O2

Spectral Data

(4aR,7aS)-6-Isobutyl-4-(4-pyridinylmethyl)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 735
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/11/2020 11:21:28 AM
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Identificators

InChI InChI=1S/C16H23N3O2/c1-12(2)7-18-9-14-15(10-18)21-11-16(20)19(14)8-13-3-5-17-6-4-13/h3-6,12,14-15H,7-11H2,1-2H3/t14-,15+/m1/s1
InChI Key MIQPYNUSISSINH-CABCVRRESA-N
Canonical SMILES CC(C)CN1CC2C(C1)OCC(=O)N2CC3=CC=NC=C3
CAS
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Other Names Pyrrolo[3,4-b]-1,4-oxazin-3(2H)-one, hexahydro-6-(2-methylpropyl)-4-(4-pyridinylmethyl)-, (4aR,7aS)-;
NAT37-483369

In Other Databases

ChemSpider 29852185
PubChem 56775024