| SpectraBase Spectrum ID |
IK6LxlWTEf0 |
| Name |
Hexanoic acid, 1-methylhexyl ester |
| Alternate Name(s) |
1-Methylhexyl hexanoate
2-Heptyl hexanoate
Heptan-2-yl hexanoate
Hexanoic acid heptan-2-yl ester
AI3-06074
EINECS 229-582-6 |
| CAS Registry Number |
6624-58-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H26O2 |
| InChI |
InChI=1S/C13H26O2/c1-4-6-8-10-12(3)15-13(14)11-9-7-5-2/h12H,4-11H2,1-3H3 |
| InChIKey |
PPQPRIGCIRJGJH-UHFFFAOYSA-N |
| Molecular Weight |
214.349 g/mol |
| SMILES |
CCCCCC(OC(C)CCCCC)=O |
| SPLASH |
splash10-0a4m-9000000000-30d4a476d03a243da327 |
| Source of Spectrum |
XW-230-0-0 |
| Wiley ID |
1213876 |
