| SpectraBase Compound ID | 4xbN24yLLRJ |
|---|---|
| InChI | InChI=1S/C12H13Br/c13-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,4,6,8H,3,5,7,9H2 |
| InChIKey | AWNRGBYUHUSASE-UHFFFAOYSA-N |
| Mol Weight | 237.14 g/mol |
| Molecular Formula | C12H13Br |
| Exact Mass | 236.020063 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2WWlr3NUKB6 |
|---|---|
| Name | 3-(3-Bromanylpropyl)-1H-indene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.020063419 u |
| Formula | C12H13Br |
| InChI | InChI=1S/C12H13Br/c13-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,4,6,8H,3,5,7,9H2 |
| InChIKey | AWNRGBYUHUSASE-UHFFFAOYSA-N |
| Molecular Weight | 237.140 g/mol |
| SMILES | C1C=C(C=2C=CC=CC12)CCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968142 |