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(1,4a-trans)-1-(Benzyloxy)-7-bromo-2,3,4,4a-tetrahydro-1H-xanthene
SpectraBase Compound ID 8ySMXuD46Ko
InChI InChI=1S/C20H19BrO2/c21-16-9-10-18-15(11-16)12-17-19(7-4-8-20(17)23-18)22-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,19-20H,4,7-8,13H2/t19-,20+/m0/s1
InChIKey AUCMBSKYOMMYLD-VQTJNVASSA-N
Mol Weight 371.27 g/mol
Molecular Formula C20H19BrO2
Exact Mass 370.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3WOvkaV3Q9
Name (1,4a-trans)-1-(Benzyloxy)-7-bromo-2,3,4,4a-tetrahydro-1H-xanthene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19BrO2
InChI InChI=1S/C20H19BrO2/c21-16-9-10-18-15(11-16)12-17-19(7-4-8-20(17)23-18)22-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,19-20H,4,7-8,13H2/t19-,20+/m0/s1
InChIKey AUCMBSKYOMMYLD-VQTJNVASSA-N
Literature Reference DOI 10.1039/c4ra03785e
Molecular Weight 371.274 g/mol
SMILES c1(ccc2O[C@@]3(CCC[C@@](C3=Cc2c1)(OCc1ccccc1)[H])[H])Br
SPLASH splash10-01yx-2092000000-70d5f1a9f2879ca09cb7
Source of Spectrum RSA-4-29439/SM7-3_OBn
Synonyms (1S,4aR)-1-(benzyloxy)-7-bromo-2,3,4,4a-tetrahydro-1H-xanthene
Wiley ID 1751448