| SpectraBase Compound ID | I1iBX8AmiAC |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3H,1,4-11H2,2H3 |
| InChIKey | LTHBRQQXKACRAP-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JpIDakvP60W |
|---|---|
| Name | HEXANOIC ACID, 5-HEXENYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3H,1,4-11H2,2H3 |
| InChIKey | LTHBRQQXKACRAP-UHFFFAOYSA-N |
| Molecular Weight | 198.1614 |
| SMILES | CCCCCC(OCCCCC=C)=O |
| SPLASH | splash10-0fry-9000000000-a0af2adcdf94a805f973 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |