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(4aR,5R,10aS)-7-bromo-N-(3,4-dichlorophenyl)-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine

View entire compound with spectra: 1 MS (GC)

(4aR,5R,10aS)-7-bromo-N-(3,4-dichlorophenyl)-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
SpectraBase Compound ID Hdq3QsBCAZv
InChI InChI=1S/C18H16BrCl2NO2/c19-10-3-6-16-13(8-10)17(12-2-1-7-23-18(12)24-16)22-11-4-5-14(20)15(21)9-11/h3-6,8-9,12,17-18,22H,1-2,7H2/t12-,17-,18+/m1/s1
InChIKey BRYFHWLCVPEZCS-PJSAGSTRSA-N
Mol Weight 429.14 g/mol
Molecular Formula C18H16BrCl2NO2
Exact Mass 426.974147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rMPFjGBgvU
Name (4aR,5R,10aS)-7-bromo-N-(3,4-dichlorophenyl)-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 C18H16BrCl2NO2
InChI InChI=1S/C18H16BrCl2NO2/c19-10-3-6-16-13(8-10)17(12-2-1-7-23-18(12)24-16)22-11-4-5-14(20)15(21)9-11/h3-6,8-9,12,17-18,22H,1-2,7H2/t12-,17-,18+/m1/s1
InChIKey BRYFHWLCVPEZCS-PJSAGSTRSA-N
Literature Reference DOI 10.1002/rcm.3239
Molecular Weight 429.141 g/mol
SMILES N([C@@]1([C@@]2([C@](Oc3c1cc(cc3)Br)(OCCC2)[H])[H])[H])c1ccc(c(c1)Cl)Cl
SPLASH splash10-066r-1495400000-b3205bb693fc631067f2
Source of Spectrum RCM-21-3513-13
Synonyms (4aR,5R,10aS)-7-bromo-N-(3,4-dichlorophenyl)-3,4,4a,10a-tetrahydro-2H,5H-pyrano[2,3-b]chromen-5-amine
Wiley ID 1814369