| SpectraBase Spectrum ID |
36Q2AYrqZ6B |
| Name |
8-Bromo-3-(2-bromo-ethoxy)-1-methyl-6-oxo-2-oxa-tricyclo[3.3.1.1*3,7*]decane-5-carboxylic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18Br2O5 |
| InChI |
InChI=1S/C14H18Br2O5/c1-12-6-13(11(18)19-2)7-14(21-12,20-4-3-15)5-8(9(12)16)10(13)17/h8-9H,3-7H2,1-2H3/t8-,9-,12-,13-,14-/m1/s1 |
| InChIKey |
ASPMADVPNMHCIR-KVTHKLIGSA-N |
| Molecular Weight |
426.101 g/mol |
| SMILES |
[C@@]12(C([C@@]3(C[C@](C2)(O[C@](C1)([C@@]3(Br)[H])C)OCCBr)[H])=O)C(=O)OC |
| SPLASH |
splash10-03di-0900100000-7e0f9bc98ae8ce14e7e1 |
| Source of Spectrum |
H1-39-109-11 |
| Synonyms |
(1RS,3RS,5SR,7SR,8RS)-8-Bromo-3-(2-bromoethyl)-1-methyl-6-oxoadamantane-5-carboxylic acid methyl ester
methyl 8-bromo-3-(2-bromoethoxy)-1-methyl-6-oxo-2-oxatricyclo[3.3.1.1(3,7)]decane-5-carboxylate |
| Wiley ID |
756838 |
![8-Bromo-3-(2-bromo-ethoxy)-1-methyl-6-oxo-2-oxa-tricyclo[3.3.1.1*3,7*]decane-5-carboxylic acid methyl ester](/api/spectrum/36Q2AYrqZ6B/structure.png?h=300&w=458 "8-Bromo-3-(2-bromo-ethoxy)-1-methyl-6-oxo-2-oxa-tricyclo[3.3.1.1*3,7*]decane-5-carboxylic acid methyl ester")
