| SpectraBase Spectrum ID |
JVL3XSsnZkn |
| Name |
Dimethyl 1,4-bis(3'-oxobutyl)-2,5-cyclohexanedione-1,4-dicarboxylate |
| Alternate Name(s) |
dimethyl 2,5-dioxo-1,4-bis(3-oxobutyl)-1,4-cyclohexanedicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H24O8 |
| InChI |
InChI=1S/C18H24O8/c1-11(19)5-7-17(15(23)25-3)9-14(22)18(10-13(17)21,16(24)26-4)8-6-12(2)20/h5-10H2,1-4H3 |
| InChIKey |
XKHPNVLEGFYZQS-UHFFFAOYSA-N |
| Molecular Weight |
368.382 g/mol |
| SMILES |
C1(C(CC(C(C1)=O)(C(=O)OC)CCC(=O)C)=O)(C(=O)OC)CCC(=O)C |
| SPLASH |
splash10-014i-0900000000-1504c18b9d0513dc9818 |
| Source of Spectrum |
HE-2006-625-2 |
| Wiley ID |
1613935 |
