| SpectraBase Spectrum ID |
LAilIaYH04f |
| Name |
Heptanoic acid, 3,6,6-trimethyl-, methyl ester |
| CAS Registry Number |
30448-48-7 |
| Comments |
Edited after expert review for air contamination - Original record with SpectrumID 1183079 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-9(8-10(12)13-5)6-7-11(2,3)4/h9H,6-8H2,1-5H3 |
| InChIKey |
DFLQEAGBIWZTKO-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| SMILES |
C(CCC(C)(C)C)(CC(OC)=O)C |
| SPLASH |
splash10-0pb9-9300000000-8fbf8a5e4760641f32b9 |
| Source of Spectrum |
EP-8023-0-0 |
| Synonyms |
Methyl 3,6,6-trimethylheptanoate
3,6,6-trimethylenanthic acid methyl ester
3,6,6-Trimethylheptanoic acid methyl ester |
| Wiley ID |
1821031 |
