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(2R,4aR,8aR)-6-amino-2-phenyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-one

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(2R,4aR,8aR)-6-amino-2-phenyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
SpectraBase Compound ID HCw7rGVwB9G
InChI InChI=1S/C13H13NO4/c14-11-6-9(15)12-10(17-11)7-16-13(18-12)8-4-2-1-3-5-8/h1-6,10,12-13H,7,14H2/t10-,12+,13-/m1/s1
InChIKey WRVJXCMKHJOEGI-KGYLQXTDSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID u9fYDWzRzH
Name (2R,4ar,8ar)-6-Amino-2-phenyl-4A,8A-dihydro-4H-pyrano[3,2-D][1,3]dioxin-8-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.084457899 u
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c14-11-6-9(15)12-10(17-11)7-16-13(18-12)8-4-2-1-3-5-8/h1-6,10,12-13H,7,14H2/t10-,12+,13-/m1/s1
InChIKey WRVJXCMKHJOEGI-KGYLQXTDSA-N
Molecular Weight 247.250 g/mol
SMILES [C@]12(O[C@](C=3C=CC=CC3)(OC[C@]1(OC(N)=CC2=O)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88822