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Cymopolone
SpectraBase Compound ID DLWAHszfhex
InChI InChI=1S/C16H19BrO3/c1-10(2)5-4-6-11(3)7-14(18)12-8-16(20)13(17)9-15(12)19/h5,7-9,19-20H,4,6H2,1-3H3/b11-7+
InChIKey VJTRXVYGZCUUJN-YRNVUSSQSA-N
Mol Weight 339.23 g/mol
Molecular Formula C16H19BrO3
Exact Mass 338.051757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3A6Ek23Uum
Name Cymopolone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrO3
InChI InChI=1S/C16H19BrO3/c1-10(2)5-4-6-11(3)7-14(18)12-8-16(20)13(17)9-15(12)19/h5,7-9,19-20H,4,6H2,1-3H3/b11-7+
InChIKey VJTRXVYGZCUUJN-YRNVUSSQSA-N
Instrument Name Micromass Autospec
Ionization Type EI
Literature Reference DOI 10.1021/np010418q
Molecular Weight 339.229 g/mol
Reported Formula C16H19O3Br
SMILES Oc1c(cc(c(c1)C(\C=C\(CCC=C(C)C)C)=O)O)Br
SPLASH splash10-0a4i-1091000000-c7ba2ba22419d562630e
Source of Spectrum G4-65-333-8
Wiley ID 1881065