| SpectraBase Spectrum ID |
BRh51iUmbRo |
| Name |
Heptanoic acid, 2-ethyl- |
| Alternate Name(s) |
2-Ethylheptanoic acid
2-Ethylenanthic acid
3-Octanecarboxylic acid
EINECS 221-902-2 |
| CAS Registry Number |
3274-29-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11) |
| InChIKey |
DYWSVUBJGFTOQC-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002_1615-4169(200207)344_5_525 |
| Molecular Weight |
158.241 g/mol |
| SMILES |
OC(C(CCCCC)CC)=O |
| SPLASH |
splash10-000i-9100000000-536b56a7e0dd0cc41ad2 |
| Source of Spectrum |
ASC-344-531-3 |
| Wiley ID |
1767270 |
