| SpectraBase Compound ID | Afoe7PGJp8j |
|---|---|
| InChI | InChI=1S/C11H24O/c1-6-10(4)7-8-11(5,12)9(2)3/h9-10,12H,6-8H2,1-5H3 |
| InChIKey | QTWAOVKXWSLZRL-UHFFFAOYSA-N |
| Mol Weight | 172.31 g/mol |
| Molecular Formula | C11H24O |
| Exact Mass | 172.182715 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LD53ABepDJ6 |
|---|---|
| Name | 3-Octanol, 2,3,6-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.182715392 u |
| Formula | C11H24O |
| InChI | InChI=1S/C11H24O/c1-6-10(4)7-8-11(5,12)9(2)3/h9-10,12H,6-8H2,1-5H3 |
| InChIKey | QTWAOVKXWSLZRL-UHFFFAOYSA-N |
| Molecular Weight | 172.312 g/mol |
| SMILES | OC(CCC(C)CC)(C(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.985828 |