| SpectraBase Compound ID | 4JB8pQrW0D1 |
|---|---|
| InChI | InChI=1S/C14H16O/c1-10(2)8-14(3)9-11-6-4-5-7-12(11)13(14)15/h4-8H,9H2,1-3H3 |
| InChIKey | GXCDUUKBJXPFKJ-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C14H16O |
| Exact Mass | 200.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ccak8n4LCYQ |
|---|---|
| Name | 2-Methyl-2-isobutenylindan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.120115134 u |
| Formula | C14H16O |
| InChI | InChI=1S/C14H16O/c1-10(2)8-14(3)9-11-6-4-5-7-12(11)13(14)15/h4-8H,9H2,1-3H3 |
| InChIKey | GXCDUUKBJXPFKJ-UHFFFAOYSA-N |
| Molecular Weight | 200.281 g/mol |
| SMILES | C1(C(C=2C=CC=CC2C1)=O)(C=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868738 |