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(4aR,5S,10aS)-N-(4-fluorophenyl)-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
SpectraBase Compound ID 27EcuYDZgB9
InChI InChI=1S/C18H18FNO2/c19-12-7-9-13(10-8-12)20-17-14-4-1-2-6-16(14)22-18-15(17)5-3-11-21-18/h1-2,4,6-10,15,17-18,20H,3,5,11H2/t15-,17-,18+/m1/s1
InChIKey HKCNSXWYNWKHGK-NXHRZFHOSA-N
Mol Weight 299.35 g/mol
Molecular Formula C18H18FNO2
Exact Mass 299.132157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8B6ZuTbPIB
Name (4aR,5S,10aS)-N-(4-fluorophenyl)-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
Alternate Name(s) (4aR,5S,10aS)-N-(4-fluorophenyl)-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 C18H18FNO2
InChI InChI=1S/C18H18FNO2/c19-12-7-9-13(10-8-12)20-17-14-4-1-2-6-16(14)22-18-15(17)5-3-11-21-18/h1-2,4,6-10,15,17-18,20H,3,5,11H2/t15-,17-,18+/m1/s1
InChIKey HKCNSXWYNWKHGK-NXHRZFHOSA-N
Literature Reference DOI 10.1002/rcm.3239
Molecular Weight 299.345 g/mol
SMILES N([C@]1([C@@]2([C@](Oc3c1cccc3)(OCCC2)[H])[H])[H])c1ccc(cc1)F
SPLASH splash10-02ta-1390000000-f861ce369b52f022a9b6
Source of Spectrum RCM-21-3513-8
Wiley ID 1814387