| SpectraBase Compound ID | H1gdmfH11bh |
|---|---|
| InChI | InChI=1S/C12H16/c1-8-7-9(2)11-5-4-6-12(11)10(8)3/h7H,4-6H2,1-3H3 |
| InChIKey | NFLKDIOSDXSKTG-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 | J6d1KPNfpz |
|---|---|
| Name | 1H-Indene, 2,3-dihydro-4,5,7-trimethyl- |
| 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/c1-8-7-9(2)11-5-4-6-12(11)10(8)3/h7H,4-6H2,1-3H3 |
| InChIKey | NFLKDIOSDXSKTG-UHFFFAOYSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | CC1=C2C(=C(C=C1C)C)CCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935272 |