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10-Oxatricyclo[6.3.2.09,11]tridec-12-ene-12,13-dicarboxylic acid, 4-(benzoyloxy)-1,8-dibromo-, diethyl ester
SpectraBase Compound ID 3Zzx6scujJ8
InChI InChI=1S/C25H28Br2O7/c1-3-31-22(29)17-18(23(30)32-4-2)25(27)14-12-16(33-21(28)15-9-6-5-7-10-15)11-8-13-24(17,26)19-20(25)34-19/h5-7,9-10,16,19-20H,3-4,8,11-14H2,1-2H3/t16?,19?,20?,24-,25+/m1/s1
InChIKey RKIOFSPIBTVEOS-SJXHFDRZSA-N
Mol Weight 600.3 g/mol
Molecular Formula C25H28Br2O7
Exact Mass 598.020179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ftgj51tzp2q
Name 10-Oxatricyclo[6.3.2.09,11]tridec-12-ene-12,13-dicarboxylic acid, 4-(benzoyloxy)-1,8-dibromo-, diethyl ester
CAS Registry Number 108571-94-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28Br2O7
InChI InChI=1S/C25H28Br2O7/c1-3-31-22(29)17-18(23(30)32-4-2)25(27)14-12-16(33-21(28)15-9-6-5-7-10-15)11-8-13-24(17,26)19-20(25)34-19/h5-7,9-10,16,19-20H,3-4,8,11-14H2,1-2H3/t16?,19?,20?,24-,25+/m1/s1
InChIKey RKIOFSPIBTVEOS-SJXHFDRZSA-N
Molecular Weight 600.300 g/mol
SMILES C1(=C([C@]2(Br)CCCC(OC(=O)c3ccccc3)CC[C@]1(C1C2O1)Br)C(=O)OCC)C(=O)OCC
SPLASH splash10-0a4i-0900000000-ed7b3dcdc5e5c1ff580f
Source of Spectrum K-119-309-4
Synonyms 4-Benzoyloxy-1,8-dibrom-10-oxatricyclo[6.3.2.0(9,11)]tridec-12-en-12,13-di-carbonsaure-diethylester diethyl 4-(benzoyloxy)-1,8-dibromo-10-oxatricyclo[6.3.2.0(9,11)]tridec-12-ene-12,13-dicarboxylate
Wiley ID 1409934