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 |