For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
10-Oxatricyclo[6.3.2.09,11]tridec-12-ene-12,13-dicarboxylic acid, 1,8-dibromo-, dimethyl ester
SpectraBase Compound ID D5jSLBUir6n
InChI InChI=1S/C16H20Br2O5/c1-21-13(19)9-10(14(20)22-2)16(18)8-6-4-3-5-7-15(9,17)11-12(16)23-11/h11-12H,3-8H2,1-2H3/t11?,12?,15-,16+
InChIKey KCBZJABOHGSVNW-UHFFFAOYSA-N
Mol Weight 452.14 g/mol
Molecular Formula C16H20Br2O5
Exact Mass 449.96775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BNjlswjejZu
Name 10-Oxatricyclo[6.3.2.09,11]tridec-12-ene-12,13-dicarboxylic acid, 1,8-dibromo-, dimethyl ester
CAS Registry Number 101410-37-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20Br2O5
InChI InChI=1S/C16H20Br2O5/c1-21-13(19)9-10(14(20)22-2)16(18)8-6-4-3-5-7-15(9,17)11-12(16)23-11/h11-12H,3-8H2,1-2H3/t11?,12?,15-,16+
InChIKey KCBZJABOHGSVNW-UHFFFAOYSA-N
Molecular Weight 452.139 g/mol
SMILES C1(=C([C@]2(Br)CCCCCC[C@]1(C1C2O1)Br)C(=O)OC)C(=O)OC
SPLASH splash10-001i-0090000000-1674dc7801330090aa42
Source of Spectrum K-118-4160-1
Synonyms 1,8-Dibrom-10-oxatricyclo[6.3.2.0(9,11)]trideca-12-en-12,13-dicarbonsaure-dimethylester dimethyl 1,8-dibromo-10-oxatricyclo[6.3.2.0(9,11)]tridec-12-ene-12,13-dicarboxylate
Wiley ID 1387542