| SpectraBase Spectrum ID |
51zAhNucSIs |
| Name |
(1R,3S,7R,8R)-8-Bromo-3-(2-iodoethyl)-1-methyl-6-oxo-2-oxaadamantane-5-carboxylic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18BrIO5 |
| InChI |
InChI=1S/C14H18BrIO5/c1-12-6-13(11(18)19-2)7-14(21-12,20-4-3-16)5-8(9(12)15)10(13)17/h8-9H,3-7H2,1-2H3/t8-,9-,12-,13-,14-/m1/s1 |
| InChIKey |
VXTBTWYLZKHYKT-KVTHKLIGSA-N |
| Molecular Weight |
473.101 g/mol |
| SMILES |
[C@@]12(C([C@@]3(C[C@](C2)(O[C@](C1)([C@@]3(Br)[H])C)OCCI)[H])=O)C(=O)OC |
| SPLASH |
splash10-0a4i-0900100000-e89c983d7c2b8b02e54c |
| Source of Spectrum |
H1-39-109-12 |
| Synonyms |
(1RS,3RS,5SR,7SR,8RS)-8-Bromo-3-(2-iodoethyl)-1-methyl-6-oxo-2-oxaadamantane-5-carboxylic acid methyl ester
methyl (1R,3R,7S,8R)-8-bromo-3-(2-iodoethoxy)-1-methyl-6-oxo-2-oxatricyclo[3.3.1.1(3,7)]decane-5-carboxylate |
| Wiley ID |
756837 |
