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(4aR,5R,10aS)-N-phenyl-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
SpectraBase Compound ID KrSOlamRnFY
InChI InChI=1S/C18H19NO2/c1-2-7-13(8-3-1)19-17-14-9-4-5-11-16(14)21-18-15(17)10-6-12-20-18/h1-5,7-9,11,15,17-19H,6,10,12H2/t15-,17+,18+/m1/s1
InChIKey YZHBNSUNHNPNOF-NJAFHUGGSA-N
Mol Weight 281.35 g/mol
Molecular Formula C18H19NO2
Exact Mass 281.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HEYBr4MiHZu
Name (4ar,5R,10As)-N-phenyl-2,3,4,4A,5,10A-hexahydropyrano[2,3-B]chromen-5-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.141578854 u
Formula C18H19NO2
InChI InChI=1S/C18H19NO2/c1-2-7-13(8-3-1)19-17-14-9-4-5-11-16(14)21-18-15(17)10-6-12-20-18/h1-5,7-9,11,15,17-19H,6,10,12H2/t15-,17+,18+/m1/s1
InChIKey YZHBNSUNHNPNOF-NJAFHUGGSA-N
Molecular Weight 281.355 g/mol
SMILES C1=CC2=C(C=C1)O[C@]1([C@@]([C@]2(NC2=CC=CC=C2)[H])(CCCO1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853231