(4aR,7aS)-6-(1,2-Oxazol-5-ylcarbonyl)-4-phenylhexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one

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

ID: Reference13046

Other Names: NAT37-509741

Formula: C16H15N3O4

Spectral Data

(4aR,7aS)-6-(1,2-Oxazol-5-ylcarbonyl)-4-phenylhexahydropyrrolo[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 502
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/6/2024 9:56:03 AM
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Identificators

InChI InChI=1S/C16H15N3O4/c20-15-10-22-14-9-18(16(21)13-6-7-17-23-13)8-12(14)19(15)11-4-2-1-3-5-11/h1-7,12,14H,8-10H2/t12-,14+/m1/s1
InChI Key UQLTUEWWOIJKFL-OCCSQVGLSA-N
Canonical SMILES C1C2C(CN1C(=O)C3=CC=NO3)OCC(=O)N2C4=CC=CC=C4
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Other Names NAT37-509741

In Other Databases

PubChem 56775191
ChemSpider 29852349