| SpectraBase Spectrum ID |
GBWjClMbOgE |
| Name |
Dimethylmalonic acid, 4-(4-methoxyphenyl)cyclohexyl nonyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.303224447 u |
| Formula |
C27H42O5 |
| InChI |
InChI=1S/C27H42O5/c1-5-6-7-8-9-10-11-20-31-25(28)27(2,3)26(29)32-24-18-14-22(15-19-24)21-12-16-23(30-4)17-13-21/h12-13,16-17,22,24H,5-11,14-15,18-20H2,1-4H3 |
| InChIKey |
ISIYULXCEQSXKG-UHFFFAOYSA-N |
| Molecular Weight |
446.628 g/mol |
| SMILES |
C1=C(C=CC(=C1)C1CCC(CC1)OC(C(C(OCCCCCCCCC)=O)(C)C)=O)OC |
