4-{[(4aR,7aS)-4-(4-Fluorobenzyl)-3-oxohexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]methyl}benzoic acid

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Systematic / IUPAC Name: 4-[[(4aR,7aS)-4-[(4-Fluorophenyl)methyl]-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]benzoic acid

ID: Reference10779

Other Names: Benzoic acid, 4-[[(4aR,7aS)-4-[(4-fluorophenyl)methyl]hexahydro-3-oxopyrrolo[3,4-b]-1,4-oxazin-6(2H)-yl]methyl]-;
NAT37-483535

Formula: C21H21FN2O4

Spectral Data

4-{[(4aR,7aS)-4-(4-Fluorobenzyl)-3-oxohexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]methyl}benzoic acid 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 1710
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/20/2021 8:10:26 AM
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Identificators

InChI InChI=1S/C21H21FN2O4/c22-17-7-3-15(4-8-17)10-24-18-11-23(12-19(18)28-13-20(24)25)9-14-1-5-16(6-2-14)21(26)27/h1-8,18-19H,9-13H2,(H,26,27)/t18-,19+/m1/s1
InChI Key ZVMHKBOISLRDAV-MOPGFXCFSA-N
Canonical SMILES C1C2C(CN1CC3=CC=C(C=C3)C(=O)O)OCC(=O)N2CC4=CC=C(C=C4)F
CAS
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Other Names Benzoic acid, 4-[[(4aR,7aS)-4-[(4-fluorophenyl)methyl]hexahydro-3-oxopyrrolo[3,4-b]-1,4-oxazin-6(2H)-yl]methyl]-;
NAT37-483535

In Other Databases

ChemSpider 29852208
PubChem 56775047