| SpectraBase Compound ID | 6hunoIU6e2 |
|---|---|
| InChI | InChI=1S/C13H14/c1-9-4-6-12-10(2)5-7-13(12)11(3)8-9/h4-8H,1-3H3 |
| InChIKey | LHJYMASHUCFWKK-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C13H14 |
| Exact Mass | 170.10955 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | XBDOtd3eti |
|---|---|
| Name | 1,4,6-Trimethylazulene |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14 |
| InChI | InChI=1S/C13H14/c1-9-4-6-12-10(2)5-7-13(12)11(3)8-9/h4-8H,1-3H3 |
| InChIKey | LHJYMASHUCFWKK-UHFFFAOYSA-N |
| Molecular Weight | 170.255 g/mol |
| SMILES | c12c(ccc(cc2C)C)c(C)cc1 |
| SPLASH | splash10-00di-0900000000-c60330292afe0570821b |
| Source of Spectrum | H-75-2476-71 |
| Wiley ID | 1167684 |