![4,6,8-Trimethyl-[1,3a-(13C)]-azulene](/api/spectrum/Lx0SRim4o65/structure.png?h=300&w=458 "4,6,8-Trimethyl-[1,3a-(13C)]-azulene")
| SpectraBase Compound ID | 8NELF9mAJuL |
|---|---|
| InChI | InChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3/i5+1,13+1 |
| InChIKey | RUNBRXWUHPOTOO-SYBJLTFESA-N |
| Mol Weight | 172.24 g/mol |
| Molecular Formula | C1113C2H14 |
| Exact Mass | 172.11626 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lx0SRim4o65 |
|---|---|
| Name | 4,6,8-Trimethyl-[1,3a-(13C)]-azulene |
| Comments | Original formula: C11[13C]2H14 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14 |
| InChI | InChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3/i5+1,13+1 |
| InChIKey | RUNBRXWUHPOTOO-SYBJLTFESA-N |
| Molecular Weight | 172.240 g/mol |
| SMILES | [13cH]1cc[13c]2c1c(cc(cc2C)C)C |
| SPLASH | splash10-05fr-0900000000-9dcd1a1ba8e937b173b7 |
| Source of Spectrum | H-78-1435-1 |
| Wiley ID | 1167691 |