| SpectraBase Compound ID | D2KW3THp1yQ |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3 |
| InChIKey | LWKWNIYBQLKBMQ-UHFFFAOYSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2A83wn88fUf |
|---|---|
| Name | Terpinyl butyrate, mixture of isomers |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3 |
| InChIKey | LWKWNIYBQLKBMQ-UHFFFAOYSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C1C=C(CCC1C(C)(OC(CCC)=O)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.978144 |