For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(4aR,5R,10aS)-N-(3,4-difluorophenyl)-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine

View entire compound with spectra: 1 MS (GC)

(4aR,5R,10aS)-N-(3,4-difluorophenyl)-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
SpectraBase Compound ID 9vlCUvWx7Uw
InChI InChI=1S/C18H17F2NO2/c19-14-8-7-11(10-15(14)20)21-17-12-4-1-2-6-16(12)23-18-13(17)5-3-9-22-18/h1-2,4,6-8,10,13,17-18,21H,3,5,9H2/t13-,17+,18+/m1/s1
InChIKey FDIQQSNJRXPSQC-BVGQSLNGSA-N
Mol Weight 317.34 g/mol
Molecular Formula C18H17F2NO2
Exact Mass 317.122735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9po5QHECmKT
Name (4aR,5R,10aS)-N-(3,4-difluorophenyl)-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
Alternate Name(s) (4aR,5R,10aS)-N-(3,4-difluorophenyl)-3,4,4a,10a-tetrahydro-2H,5H-pyrano[2,3-b]chromen-5-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F2NO2
InChI InChI=1S/C18H17F2NO2/c19-14-8-7-11(10-15(14)20)21-17-12-4-1-2-6-16(12)23-18-13(17)5-3-9-22-18/h1-2,4,6-8,10,13,17-18,21H,3,5,9H2/t13-,17+,18+/m1/s1
InChIKey FDIQQSNJRXPSQC-BVGQSLNGSA-N
Literature Reference DOI 10.1002/rcm.3239
Molecular Weight 317.336 g/mol
SMILES N([C@@]1([C@@]2([C@](Oc3c1cccc3)(OCCC2)[H])[H])[H])c1ccc(c(c1)F)F
SPLASH splash10-0019-1941000000-15ceb4cca674e643f488
Source of Spectrum RCM-21-3513-11
Wiley ID 1814367