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10-bromo-11,12-dehydro[8]metacyclophane
SpectraBase Compound ID GH2NqvP8Cgb
InChI InChI=1S/C18H21BrO/c19-18-13-8-6-4-2-1-3-5-7-12(11-13)16-14-9-10-15(20-14)17(16)18/h9-11,14-15H,1-8H2/t14-,15+/m1/s1
InChIKey RJWFDFQXRCKUDN-CABCVRRESA-N
Mol Weight 333.27 g/mol
Molecular Formula C18H21BrO
Exact Mass 332.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEnRYiSuwJl
Name 10-bromo-11,12-dehydro[8]metacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21BrO
InChI InChI=1S/C18H21BrO/c19-18-13-8-6-4-2-1-3-5-7-12(11-13)16-14-9-10-15(20-14)17(16)18/h9-11,14-15H,1-8H2/t14-,15+/m1/s1
InChIKey RJWFDFQXRCKUDN-CABCVRRESA-N
Literature Reference DOI 10.1002/cber.19841170205
Molecular Weight 333.269 g/mol
SMILES C=1[C@]2(O[C@@](C1)(c1c2c2cc(c1Br)CCCCCCCC2)[H])[H]
SPLASH splash10-0043-9621000000-1bf9dd38831514967c48
Source of Spectrum K-117-468-23
Synonyms (1R,4S)-15-bromo-1,4,6,7,8,9,10,11,12,13-decahydro-1,4-epoxy-5,14-(metheno)benzo[13]annulene
Wiley ID 1792016