| SpectraBase Spectrum ID |
5svu9TyJz5P |
| Name |
Tricyclo[4.1.1.0(2,5)]octane-3,4-dicarboxylic acid, dimethyl ester, (2.alpha.,3.alpha.,4.alpha.,5.alpha.)- |
| Alternate Name(s) |
dimethyl (2R,3R,4S,5S)-tricyclo[4.1.1.0(2,5)]octane-3,4-dicarboxylate
Dimethylester of tricyclo[4.1.1.0(2,5)]octan-3-exo,4-exo-dicarboxylic acid |
| CAS Registry Number |
77614-61-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-15-11(13)9-7-5-3-6(4-5)8(7)10(9)12(14)16-2/h5-10H,3-4H2,1-2H3/t5?,6?,7-,8+,9-,10+ |
| InChIKey |
MVALQNWDKVTLQS-RRSIJSIHSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
[C@@]12([C@@](C3CC2C3)([C@]([C@]1(C(=O)OC)[H])(C(=O)OC)[H])[H])[H] |
| SPLASH |
splash10-0a4i-0900000000-9a3bb6c20e48380cdc5b |
| Source of Spectrum |
K-114-988-0 |
| Wiley ID |
1224957 |
![Tricyclo[4.1.1.0(2,5)]octane-3,4-dicarboxylic acid, dimethyl ester, (2.alpha.,3.alpha.,4.alpha.,5.alpha.)-](/api/spectrum/5svu9TyJz5P/structure.png?h=300&w=458 "Tricyclo[4.1.1.0(2,5)]octane-3,4-dicarboxylic acid, dimethyl ester, (2.alpha.,3.alpha.,4.alpha.,5.alpha.)-")
