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(4aR,5R,10aS)-7-bromo-N-phenyl-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-phenyl-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
SpectraBase Compound ID EMBFpfbsvWc
InChI InChI=1S/C18H18BrNO2/c19-12-8-9-16-15(11-12)17(20-13-5-2-1-3-6-13)14-7-4-10-21-18(14)22-16/h1-3,5-6,8-9,11,14,17-18,20H,4,7,10H2/t14-,17-,18+/m1/s1
InChIKey MCELSEUWJUQRMW-OLMNPRSZSA-N
Mol Weight 360.25 g/mol
Molecular Formula C18H18BrNO2
Exact Mass 359.052092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Z4q1ZQbvFL
Name (4aR,5R,10aS)-7-bromo-N-phenyl-2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-5-amine
Alternate Name(s) (4aR,5R,10aS)-7-bromo-N-phenyl-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 C18H18BrNO2
InChI InChI=1S/C18H18BrNO2/c19-12-8-9-16-15(11-12)17(20-13-5-2-1-3-6-13)14-7-4-10-21-18(14)22-16/h1-3,5-6,8-9,11,14,17-18,20H,4,7,10H2/t14-,17-,18+/m1/s1
InChIKey MCELSEUWJUQRMW-OLMNPRSZSA-N
Literature Reference DOI 10.1002/rcm.3239
Molecular Weight 360.251 g/mol
SMILES N([C@@]1([C@@]2([C@](Oc3c1cc(cc3)Br)(OCCC2)[H])[H])[H])c1ccccc1
SPLASH splash10-004i-2292000000-f6c971651b9c9be3290d
Source of Spectrum RCM-21-3513-3
Wiley ID 1814383