| SpectraBase Spectrum ID |
JX7ykSz27th |
| Name |
1-Methylheptyl pentanoate |
| Alternate Name(s) |
Pentanoic acid, 2-octyl ester
Pentanoic acid octan-2-yl ester
Octan-2-yl pentanoate |
| CAS Registry Number |
6938-48-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H26O2 |
| InChI |
InChI=1S/C13H26O2/c1-4-6-8-9-10-12(3)15-13(14)11-7-5-2/h12H,4-11H2,1-3H3 |
| InChIKey |
QLUDFRTWDGSCRJ-UHFFFAOYSA-N |
| Molecular Weight |
214.349 g/mol |
| SMILES |
CCCCC(OC(CCCCCC)C)=O |
| SPLASH |
splash10-000i-9400000000-27f99ae79d256c69d8ad |
| Source of Spectrum |
NP-4-9564-0 |
| Wiley ID |
1104434 |
