| SpectraBase Compound ID | A8UsBtOvPuo |
|---|---|
| InChI | InChI=1S/C12H16/c1-8-4-5-9(2)12-10(3)6-7-11(8)12/h4-5,10H,6-7H2,1-3H3 |
| InChIKey | VPYDMFMIOKBZIO-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C12H16 |
| Exact Mass | 160.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9m6z3MDgDUc |
|---|---|
| Name | 1,4,7-Trimethyl-indan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.125200515 u |
| Formula | C12H16 |
| InChI | InChI=1S/C12H16/c1-8-4-5-9(2)12-10(3)6-7-11(8)12/h4-5,10H,6-7H2,1-3H3 |
| InChIKey | VPYDMFMIOKBZIO-UHFFFAOYSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | C1=2C(C)CCC1=C(C)C=CC2C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852518 |