| SpectraBase Compound ID | 1y1bD9NumJH |
|---|---|
| InChI | InChI=1S/C12H16/c1-10-6-8-11-4-2-3-5-12(11)9-7-10/h2-5,10H,6-9H2,1H3 |
| InChIKey | AXZAMEWKKCLWGR-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 | LKio5l0HJU |
|---|---|
| Name | 7-Methyl-6,7,8,9-tetrahydro-5H-benzocycloheptene |
| 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/c1-10-6-8-11-4-2-3-5-12(11)9-7-10/h2-5,10H,6-9H2,1H3 |
| InChIKey | AXZAMEWKKCLWGR-UHFFFAOYSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | C12=C(CCC(CC2)C)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94741 |