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(9Z,12Z)-15,19-bis(bromanyl)-16-ethyl-17,22-dioxabicyclo[16.3.1]docosa-1(21),9,12,18-tetraen-6-yn-20-one
SpectraBase Compound ID 8shBbN62CWp
InChI InChI=1S/C22H26Br2O3/c1-2-20-18(23)15-13-11-9-7-5-3-4-6-8-10-12-14-17-16-19(25)21(24)22(26-17)27-20/h5,7,11,13,16,18,20H,2-3,8-10,12,14-15H2,1H3/b7-5-,13-11-
InChIKey UGBPUPWKCCXBOM-DPTWWRMPSA-N
Mol Weight 498.26 g/mol
Molecular Formula C22H26Br2O3
Exact Mass 496.024871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pkHyjJQxML
Name (9Z,12Z)-15,19-bis(bromanyl)-16-ethyl-17,22-dioxabicyclo[16.3.1]docosa-1(21),9,12,18-tetraen-6-yn-20-one
CAS Registry Number 81575-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26Br2O3
InChI InChI=1S/C22H26Br2O3/c1-2-20-18(23)15-13-11-9-7-5-3-4-6-8-10-12-14-17-16-19(25)21(24)22(26-17)27-20/h5,7,11,13,16,18,20H,2-3,8-10,12,14-15H2,1H3/b7-5-,13-11-
InChIKey UGBPUPWKCCXBOM-DPTWWRMPSA-N
Molecular Weight 498.255 g/mol
SMILES C12=C(C(=O)C=C(O2)CCCCC#CC\C=C/C\C=C/CC(C(O1)CC)Br)Br
SPLASH splash10-069r-9300000000-5948ef477fddeb74f26f
Source of Spectrum B-35-119-0
Synonyms (9Z,12Z)-15,19-dibromo-16-ethyl-17,22-dioxabicyclo[16.3.1]docosa-1(21),9,12,18-tetraen-6-yn-20-one
Wiley ID 1398173