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10-Oxatricyclo[6.3.2.0(9,11)]tridec-12-ene-12,13-dicarboxylic acid, 1,8-dibromo-, diethyl ester, (1R*,8S*,9R*,11S*)-
SpectraBase Compound ID AfdpnBpb2Zr
InChI InChI=1S/C18H24Br2O5/c1-3-23-15(21)11-12(16(22)24-4-2)18(20)10-8-6-5-7-9-17(11,19)13-14(18)25-13/h13-14H,3-10H2,1-2H3/t13-,14+,17+,18-
InChIKey ZASDSALQMQLBNI-PURYLZLUSA-N
Mol Weight 480.19 g/mol
Molecular Formula C18H24Br2O5
Exact Mass 477.99905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97BOklT2z2C
Name 10-Oxatricyclo[6.3.2.0(9,11)]tridec-12-ene-12,13-dicarboxylic acid, 1,8-dibromo-, diethyl ester, (1R*,8S*,9R*,11S*)-
CAS Registry Number 81446-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24Br2O5
InChI InChI=1S/C18H24Br2O5/c1-3-23-15(21)11-12(16(22)24-4-2)18(20)10-8-6-5-7-9-17(11,19)13-14(18)25-13/h13-14H,3-10H2,1-2H3/t13-,14+,17+,18-
InChIKey ZASDSALQMQLBNI-PURYLZLUSA-N
Molecular Weight 480.193 g/mol
SMILES C1(=C([C@@]2(Br)CCCCCC[C@@]1([C@@]1([C@@]2([H])O1)[H])Br)C(=O)OCC)C(=O)OCC
SPLASH splash10-0002-3295000000-cea0812b39f06d9d5524
Source of Spectrum K-115-1168-0
Synonyms Diethyl (1R,8S,9R,11S)-1,8-dibromo-10-oxatricyclo[6.3.2.0(9,11)]tridec-12-ene-12,13-dicarboxylate Diethyl ester of 1,8-dibromo-10-oxatricyclo[6.3.2.0(9,11)]trideca-12-en-12,13-dicarboxylic acid
Wiley ID 1394636