| SpectraBase Spectrum ID |
JlvVSTkhf47 |
| Name |
Propanedioic acid, [1,3-benzodioxol-5-yl(2-oxocyclohexyl)methyl]-, dimethyl ester, [S-(R*,R*)]- |
| Alternate Name(s) |
Dimethyl 2-[1,3-benzodioxol-5-yl(2-oxocyclohexyl)methyl]malonate
Dimethylester of (-)-(1'S,1''S)-[(1,3-benzodioxol-5-yl)(2-oxocyclohexyl)methyl]propandicarboxylic acid
Dimethylester of (-)-(1'S,1''S)-[(1,3-Benzodioxol-5-yl)(2-oxocyclohexyl)methyl]propandicarboxylic acid
Malonic acid, 2-[(benzodioxol-5-yl)(cyclohexan-1-on-2-yl)]methyl-, dimethyl ester |
| CAS Registry Number |
86661-26-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22O7 |
| InChI |
InChI=1S/C19H22O7/c1-23-18(21)17(19(22)24-2)16(12-5-3-4-6-13(12)20)11-7-8-14-15(9-11)26-10-25-14/h7-9,12,16-17H,3-6,10H2,1-2H3 |
| InChIKey |
VSILGRRPJAVIJD-UHFFFAOYSA-N |
| Molecular Weight |
362.378 g/mol |
| SMILES |
C1(CCCCC1=O)C(C(C(=O)OC)C(=O)OC)c1ccc2c(c1)OCO2 |
| SPLASH |
splash10-014i-0902000000-76ad95d46f8e2f575292 |
| Source of Spectrum |
K-116-2256-0 |
| Wiley ID |
1349497 |
![Propanedioic acid, [1,3-benzodioxol-5-yl(2-oxocyclohexyl)methyl]-, dimethyl ester, [S-(R*,R*)]-](/api/spectrum/JlvVSTkhf47/structure.png?h=300&w=458 "Propanedioic acid, [1,3-benzodioxol-5-yl(2-oxocyclohexyl)methyl]-, dimethyl ester, [S-(R*,R*)]-")
