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Bromomethylchlamydosporol A
SpectraBase Compound ID 715h47tLN2V
InChI InChI=1S/C12H15BrO5/c1-11(13)10-7(6-17-12(11,2)16-4)8(15-3)5-9(14)18-10/h5H,6H2,1-4H3/t11-,12+/m0/s1
InChIKey VELKRHLRXGRDEF-NWDGAFQWSA-N
Mol Weight 319.15 g/mol
Molecular Formula C12H15BrO5
Exact Mass 318.010287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QFyF04l886
Name Bromomethylchlamydosporol A
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15BrO5
InChI InChI=1S/C12H15BrO5/c1-11(13)10-7(6-17-12(11,2)16-4)8(15-3)5-9(14)18-10/h5H,6H2,1-4H3/t11-,12+/m0/s1
InChIKey VELKRHLRXGRDEF-NWDGAFQWSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1021/np1005289
Molecular Weight 319.151 g/mol
Optical Rotation [a]D20 = +2.2 (c = 0.5, CHCl3)
Reported Formula C12H15BrO5
SMILES C1O[C@@]([C@@](C2=C1C(=CC(O2)=O)OC)(C)Br)(C)OC
SPLASH splash10-05mk-3890000000-5f060bc76a9ba0e51f03
Source of Spectrum G4-73-2062-1
Wiley ID 1848919