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

SpectraBase Compound ID	8bKE5rRXKhT
InChI	InChI=1S/C18H17ClFNO2/c19-14-10-11(7-8-15(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	LWDRKYKJGBLYTP-BVGQSLNGSA-N Google Search
Mol Weight	333.79 g/mol
Molecular Formula	C18H17ClFNO2
Exact Mass	333.093185 g/mol

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SpectraBase Spectrum ID	FzcOB7YvgEe
Name	(4aR,5R,10aS)-N-(3-chloro-4-fluoro-phenyl)-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H17ClFNO2
InChI	InChI=1S/C18H17ClFNO2/c19-14-10-11(7-8-15(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	LWDRKYKJGBLYTP-BVGQSLNGSA-N
Literature Reference DOI	10.1002/rcm.3239
Molecular Weight	333.790 g/mol
SMILES	N([C@@]1([C@@]2([C@](Oc3c1cccc3)(OCCC2)[H])[H])[H])c1ccc(c(c1)Cl)F
SPLASH	splash10-000b-0931000000-ce31525d497033eaa459
Source of Spectrum	RCM-21-3513-15
Synonyms	(4aR,5R,10aS)-N-(3-chloro-4-fluorophenyl)-3,4,4a,10a-tetrahydro-2H,5H-pyrano[2,3-b]chromen-5-amine
Wiley ID	1814370